2-(benzimidazol-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

C155H214N42O15S — CID 163778367

IUPAC2-(benzimidazol-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(NCN3CCNCC3)nc(-c3ccc(C)[nH]3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(-c3cnc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(-c3cnc(C)s3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(-c3ncc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(-n3cnc4ccccc43)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C28H36N8O2.C26H37N7O2.C26H36N6O3.2C25H35N7O3.C25H35N7O2S/c1-37-25-17-21-23(18-26(25)38-16-6-13-34-11-4-5-12-34)32-28(36-20-30-22-7-2-3-8-24(22)36)33-27(21)31-19-35-14-9-29-10-15-35;1-19-6-7-21(29-19)26-30-22-17-24(35-15-5-12-32-10-3-4-11-32)23(34-2)16-20(22)25(31-26)28-18-33-13-8-27-9-14-33;1-19-6-7-22(35-19)26-29-21-17-24(34-15-5-12-31-10-3-4-11-31)23(33-2)16-20(21)25(30-26)28-18-32-13-8-27-9-14-32;1-18-27-16-23(35-18)25-29-20-15-22(34-13-5-10-31-8-3-4-9-31)21(33-2)14-19(20)24(30-25)28-17-32-11-6-26-7-12-32;1-18-16-27-25(35-18)24-29-20-15-22(34-13-5-10-31-8-3-4-9-31)21(33-2)14-19(20)23(30-24)28-17-32-11-6-26-7-12-32;1-18-27-16-23(35-18)25-29-20-15-22(34-13-5-10-31-8-3-4-9-31)21(33-2)14-19(20)24(30-25)28-17-32-11-6-26-7-12-32/h2-3,7-8,17-18,20,29H,4-6,9-16,19H2,1H3,(H,31,32,33);6-7,16-17,27,29H,3-5,8-15,18H2,1-2H3,(H,28,30,31);6-7,16-17,27H,3-5,8-15,18H2,1-2H3,(H,28,29,30);3*14-16,26H,3-13,17H2,1-2H3,(H,28,29,30)
InChIKeyMMLPEBUMCGYRNF-UHFFFAOYSA-N
MW2937.76 g/mol
LogP18.24
Rot. Bonds60

About 2-(benzimidazol-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

2-(benzimidazol-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (PubChem CID 163778367) has the molecular formula C155H214N42O15S and a molecular weight of 2937.76 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
PubChem CID163778367
Molecular FormulaC155H214N42O15S
Molecular Weight2937.76 g/mol
Exact Mass2935.70
IUPAC Name2-(benzimidazol-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(NCN3CCNCC3)nc(-c3ccc(C)[nH]3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(-c3cnc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(-c3cnc(C)s3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(-c3ncc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(-n3cnc4ccccc43)nc2cc1OCCCN1CCCC1
InChIInChI=1S/C28H36N8O2.C26H37N7O2.C26H36N6O3.2C25H35N7O3.C25H35N7O2S/c1-37-25-17-21-23(18-26(25)38-16-6-13-34-11-4-5-12-34)32-28(36-20-30-22-7-2-3-8-24(22)36)33-27(21)31-19-35-14-9-29-10-15-35;1-19-6-7-21(29-19)26-30-22-17-24(35-15-5-12-32-10-3-4-11-32)23(34-2)16-20(22)25(31-26)28-18-33-13-8-27-9-14-33;1-19-6-7-22(35-19)26-29-21-17-24(34-15-5-12-31-10-3-4-11-31)23(33-2)16-20(21)25(30-26)28-18-32-13-8-27-9-14-32;1-18-27-16-23(35-18)25-29-20-15-22(34-13-5-10-31-8-3-4-9-31)21(33-2)14-19(20)24(30-25)28-17-32-11-6-26-7-12-32;1-18-16-27-25(35-18)24-29-20-15-22(34-13-5-10-31-8-3-4-9-31)21(33-2)14-19(20)23(30-24)28-17-32-11-6-26-7-12-32;1-18-27-16-23(35-18)25-29-20-15-22(34-13-5-10-31-8-3-4-9-31)21(33-2)14-19(20)24(30-25)28-17-32-11-6-26-7-12-32/h2-3,7-8,17-18,20,29H,4-6,9-16,19H2,1H3,(H,31,32,33);6-7,16-17,27,29H,3-5,8-15,18H2,1-2H3,(H,28,30,31);6-7,16-17,27H,3-5,8-15,18H2,1-2H3,(H,28,29,30);3*14-16,26H,3-13,17H2,1-2H3,(H,28,29,30)
InChIKeyMMLPEBUMCGYRNF-UHFFFAOYSA-N
XLogP18.24
TPSA560.38 Ų
H-Bond Donors13
H-Bond Acceptors57
Rotatable Bonds60
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002937.76
LogP ≤ 518.24
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(benzimidazol-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2,2-difluoro-7-methyl-6-propan-2-yl-[1,3]dioxolo[4,5-f]benzimidazole;2-fluoro-2-methyl-6-propan-2-yl-5H-[1,3]dioxolo[4,5-f]benzimidazole;1-methyl-2-propan-2-yl-5-(trifluoromethyl)benzimidazole;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;3-methyl-2-propan-2-yl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzoxazole;2-propan-2-yl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 157089632
3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]quinoline;3-ethylsulfanyl-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]quinoline;6-(3-ethylsulfinylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfinylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 161024167
3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]quinoline;6-(3-ethylsulfonylquinolin-2-yl)-2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole;6-(3-ethylsulfonylquinolin-2-yl)-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-ethylsulfonylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine;2-(3-ethylsulfonylquinolin-2-yl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole
CID 161166687
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 157179671
ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 157249492
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;2-tert-butylfuro[2,3-c]pyridine;2-tert-butyl-1-methylpyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridine;2-tert-butyl-1H-pyrrolo[2,3-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[3,2-b]pyridine;2-tert-butylthieno[2,3-c]pyridine;2-tert-butylthieno[3,2-c]pyridine
CID 157260635
CID 157306701
CID 157306701
3-[3-(furan-2-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-7-methyl-3,4-dihydro-1H-quinolin-2-one;3-[3-(furan-2-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one;7-methoxy-3-[6-methyl-3-(thiophen-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-oxazol-5-ylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one
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CID 157420701
CID 157420701
5-(6,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine;6-(6-methoxy-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole
CID 157589180
1-benzyl-4-propan-2-ylbenzene;4-ethylquinazoline;1-methyl-2-propan-2-ylbenzimidazole;1-phenoxy-4-propan-2-ylbenzene;1-phenyl-4-propan-2-ylbenzene;bis(2-propan-2-yl-1H-benzimidazole);2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;1-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylpyridine;2-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
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2-[10-([1]benzofuro[2,3-g]isoquinolin-9-yl)anthracen-9-yl]-5-phenylphenanthridin-6-imine;9-(10-phenanthren-3-ylanthracen-9-yl)-[1]benzofuro[2,3-b]quinoline;7-[10-[4-(2-phenyl-3H-benzimidazol-1-ium-1-yl)phenyl]anthracen-9-yl]-[1]benzofuro[3,2-g]quinoline;13-[10-[4-(2-phenyl-3H-benzimidazol-1-ium-1-yl)phenyl]anthracen-9-yl]-17-thia-2,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;7-[10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-[1]benzofuro[3,2-g]isoquinoline;13-[10-(6-pyridin-2-yl-2-pyridinyl)anthracen-9-yl]-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 157655224

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
The IUPAC name of 2-(benzimidazol-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (CID 163778367) is 2-(benzimidazol-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine.
What is the SMILES notation for 2-(benzimidazol-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
The canonical SMILES for 2-(benzimidazol-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is COc1cc2c(NCN3CCNCC3)nc(-c3ccc(C)[nH]3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(-c3ccc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(-c3cnc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(-c3cnc(C)s3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(-c3ncc(C)o3)nc2cc1OCCCN1CCCC1.COc1cc2c(NCN3CCNCC3)nc(-n3cnc4ccccc43)nc2cc1OCCCN1CCCC1.
What is the InChIKey of 2-(benzimidazol-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
The InChIKey is MMLPEBUMCGYRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N8O2.C26H37N7O2.C26H36N6O3.2C25H35N7O3.C25H35N7O2S/c1-37-25-17-21-23(18-26(25)38-16-6-13-34-11-4-5-12-34)32-28(36-20-30-22-7-2-3-8-24(22)36)33-27(21)31-19-35-14-9-29-10-15-35;1-19-6-7-21(29-19)26-30-22-17-24(35-15-5-12-32-10-3-4-11-32)23(34-2)16-20(22)25(31-26)28-18-33-13-8-27-9-14-33;1-19-6-7-22(35-19)26-29-21-17-24(34-15-5-12-31-10-3-4-11-31)23(33-2)16-20(21)25(30-26)28-18-32-13-8-27-9-14-32;1-18-27-16-23(35-18)25-29-20-15-22(34-13-5-10-31-8-3-4-9-31)21(33-2)14-19(20)24(30-25)28-17-32-11-6-26-7-12-32;1-18-16-27-25(35-18)24-29-20-15-22(34-13-5-10-31-8-3-4-9-31)21(33-2)14-19(20)23(30-24)28-17-32-11-6-26-7-12-32;1-18-27-16-23(35-18)25-29-20-15-22(34-13-5-10-31-8-3-4-9-31)21(33-2)14-19(20)24(30-25)28-17-32-11-6-26-7-12-32/h2-3,7-8,17-18,20,29H,4-6,9-16,19H2,1H3,(H,31,32,33);6-7,16-17,27,29H,3-5,8-15,18H2,1-2H3,(H,28,30,31);6-7,16-17,27H,3-5,8-15,18H2,1-2H3,(H,28,29,30);3*14-16,26H,3-13,17H2,1-2H3,(H,28,29,30).
What are the key properties of 2-(benzimidazol-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine?
2-(benzimidazol-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine has a molecular weight of 2937.76 g/mol, XLogP of 18.24, 60 rotatable bonds, 13 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-6-methoxy-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methylfuran-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-oxazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1,3-oxazol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(5-methyl-1H-pyrrol-2-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;6-methoxy-2-(2-methyl-1,3-thiazol-5-yl)-N-(piperazin-1-ylmethyl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 163778367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).