1-[4-[4-(4-chloro-5-methylindazol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[4-(4-chloro-5-methylindol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylbenzotriazol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(6-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one

C127H125Cl2N23O15 — CID 163458444

IUPAC1-[4-[4-(4-chloro-5-methylindazol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[4-(4-chloro-5-methylindol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylbenzotriazol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(6-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(Oc2cc3c(-n4ccc5c(Cl)c(C)ccc54)ncnc3cc2OC)CC1.C=CC(=O)N1CCC(Oc2cc3c(-n4ccc5cc(C)ccc54)ncnc3cc2OC)CC1.C=CC(=O)N1CCC(Oc2cc3c(-n4ccc5ccc(C)cc54)ncnc3cc2OC)CC1.C=CC(=O)N1CCC(Oc2cc3c(-n4ncc5c(Cl)c(C)ccc54)ncnc3cc2OC)CC1.C=CC(=O)N1CCC(Oc2cc3c(-n4nnc5cc(C)ccc54)ncnc3cc2OC)CC1
InChIInChI=1S/C26H25ClN4O3.2C26H26N4O3.C25H24ClN5O3.C24H24N6O3/c1-4-24(32)30-10-7-17(8-11-30)34-23-13-19-20(14-22(23)33-3)28-15-29-26(19)31-12-9-18-21(31)6-5-16(2)25(18)27;1-4-25(31)29-10-8-19(9-11-29)33-24-14-20-21(15-23(24)32-3)27-16-28-26(20)30-12-7-18-13-17(2)5-6-22(18)30;1-4-25(31)29-10-8-19(9-11-29)33-24-14-20-21(15-23(24)32-3)27-16-28-26(20)30-12-7-18-6-5-17(2)13-22(18)30;1-4-23(32)30-9-7-16(8-10-30)34-22-11-17-19(12-21(22)33-3)27-14-28-25(17)31-20-6-5-15(2)24(26)18(20)13-29-31;1-4-23(31)29-9-7-16(8-10-29)33-22-12-17-18(13-21(22)32-3)25-14-26-24(17)30-20-6-5-15(2)11-19(20)27-28-30/h4-6,9,12-15,17H,1,7-8,10-11H2,2-3H3;2*4-7,12-16,19H,1,8-11H2,2-3H3;4-6,11-14,16H,1,7-10H2,2-3H3;4-6,11-14,16H,1,7-10H2,2-3H3
InChIKeyBMMZHFMBGYMMKL-UHFFFAOYSA-N
MW2284.45 g/mol
LogP21.72
Rot. Bonds25

About 1-[4-[4-(4-chloro-5-methylindazol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[4-(4-chloro-5-methylindol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylbenzotriazol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(6-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one

1-[4-[4-(4-chloro-5-methylindazol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[4-(4-chloro-5-methylindol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylbenzotriazol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(6-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one (PubChem CID 163458444) has the molecular formula C127H125Cl2N23O15 and a molecular weight of 2284.45 g/mol. Its IUPAC name is 1-[4-[4-(4-chloro-5-methylindazol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[4-(4-chloro-5-methylindol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylbenzotriazol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(6-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[4-(4-chloro-5-methylindazol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[4-(4-chloro-5-methylindol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylbenzotriazol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(6-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
PubChem CID163458444
Molecular FormulaC127H125Cl2N23O15
Molecular Weight2284.45 g/mol
Exact Mass2281.91
IUPAC Name1-[4-[4-(4-chloro-5-methylindazol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[4-(4-chloro-5-methylindol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylbenzotriazol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(6-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(Oc2cc3c(-n4ccc5c(Cl)c(C)ccc54)ncnc3cc2OC)CC1.C=CC(=O)N1CCC(Oc2cc3c(-n4ccc5cc(C)ccc54)ncnc3cc2OC)CC1.C=CC(=O)N1CCC(Oc2cc3c(-n4ccc5ccc(C)cc54)ncnc3cc2OC)CC1.C=CC(=O)N1CCC(Oc2cc3c(-n4ncc5c(Cl)c(C)ccc54)ncnc3cc2OC)CC1.C=CC(=O)N1CCC(Oc2cc3c(-n4nnc5cc(C)ccc54)ncnc3cc2OC)CC1
InChIInChI=1S/C26H25ClN4O3.2C26H26N4O3.C25H24ClN5O3.C24H24N6O3/c1-4-24(32)30-10-7-17(8-11-30)34-23-13-19-20(14-22(23)33-3)28-15-29-26(19)31-12-9-18-21(31)6-5-16(2)25(18)27;1-4-25(31)29-10-8-19(9-11-29)33-24-14-20-21(15-23(24)32-3)27-16-28-26(20)30-12-7-18-13-17(2)5-6-22(18)30;1-4-25(31)29-10-8-19(9-11-29)33-24-14-20-21(15-23(24)32-3)27-16-28-26(20)30-12-7-18-6-5-17(2)13-22(18)30;1-4-23(32)30-9-7-16(8-10-30)34-22-11-17-19(12-21(22)33-3)27-14-28-25(17)31-20-6-5-15(2)24(26)18(20)13-29-31;1-4-23(31)29-9-7-16(8-10-29)33-22-12-17-18(13-21(22)32-3)25-14-26-24(17)30-20-6-5-15(2)11-19(20)27-28-30/h4-6,9,12-15,17H,1,7-8,10-11H2,2-3H3;2*4-7,12-16,19H,1,8-11H2,2-3H3;4-6,11-14,16H,1,7-10H2,2-3H3;4-6,11-14,16H,1,7-10H2,2-3H3
InChIKeyBMMZHFMBGYMMKL-UHFFFAOYSA-N
XLogP21.72
TPSA386.07 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds25
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002284.45
LogP ≤ 521.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[4-[4-(4-chloro-5-methylindazol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[4-(4-chloro-5-methylindol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylbenzotriazol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(6-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one with MolForge

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Related Compounds

3-[4-[3-(4-chlorophenyl)pyrazol-1-yl]phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-3-[4-(5-methoxybenzimidazol-1-yl)phenyl]-2-methylimidazo[1,2-b]pyridazine;1-[4-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]phenyl]-1,2,4-triazole-3-carboxamide;6-(3,4-dimethoxyphenyl)-2-methyl-3-[4-(6-methylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]imidazo[1,2-b]pyridazine;6-(3,4-dimethoxyphenyl)-2-methyl-3-[4-[5-methyl-3-(trifluoromethyl)-4,6,7,7a-tetrahydro-3aH-pyrazolo[4,3-c]pyridin-1-yl]phenyl]imidazo[1,2-b]pyridazine;methane
CID 159749271
1-[[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine;1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine;6,7-dimethoxy-2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]quinazoline
CID 157873698
N-(azetidin-3-yl)-2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]phenoxy]acetamide;N-[[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methyl]acetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-morpholin-4-ylphenoxy]-N-propan-2-ylacetamide;6-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide;2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 158262599
N-[5-[[5-chloro-4-(5-isocyanoindazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5,6-dimethoxyindazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(5-isocyanoindazol-1-yl)-5-methylpyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(5-isocyanoindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxyindazol-1-yl)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 158279535
N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]-N,4-dimethylpiperazine-1-carboxamide;2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone;N-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]pyrrolidine-1-carboxamide;2-methyl-1-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxypropan-2-ol
CID 158727446
7-[4-[1-(3-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;7-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;7-[4-(2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;7-[4-[2-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;7-[4-[2-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;7-[4-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butoxy]-2-methylidene-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-[2-(4-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butoxy]-3,4-dihydro-1H-quinoline;2-methylidene-7-[4-(2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-3,4-dihydro-1H-quinoline
CID 158942810
1-[[1-Benzyl-3-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine;6,7-dimethoxy-2-phenyl-4-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]quinazoline;1-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 158954536
[1-(3-Chlorophenyl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]-(3,3-dimethylmorpholin-4-yl)methanone;(3,3-dimethylmorpholin-4-yl)-[1-(2,5-dimethylpyrazol-3-yl)-7-methoxy-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(1-methylimidazol-4-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;(3,3-dimethylmorpholin-4-yl)-[7-methoxy-1-(1-methylpyrazol-3-yl)-8-propan-2-yloxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;(3,3-dimethylmorpholin-4-yl)-(7-methoxy-8-propan-2-yloxy-1-pyrimidin-5-yl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)methanone
CID 158976169
N-[5-[[5-chloro-4-(5-isocyanoindazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[5-[[4-(5,6-dimethoxy-3-methylindazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(5-isocyanoindazol-1-yl)-5-methylpyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(5-isocyanoindazol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6-methoxy-3-methylindazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 159329618
1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(1-methylazetidin-3-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)-4-pyridinyl]oxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 160194699
1-[4-[4-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;(E)-4-[(2R)-1-methylpyrrolidin-2-yl]-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]but-3-en-2-one;(E)-1-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-4-[(2R)-pyrrolidin-2-yl]but-3-en-2-one;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(7-oxa-2,5-diazaspiro[3.4]oct-5-en-6-ylmethyl)quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]quinazolin-4-amine
CID 160365900
N-[3-chloro-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;N-[3-chloro-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine;N-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]pyrrolidine-1-carboxamide;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine;2-methyl-4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]butan-2-ol
CID 160380433

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-chloro-5-methylindazol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[4-(4-chloro-5-methylindol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylbenzotriazol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(6-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[4-(4-chloro-5-methylindazol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[4-(4-chloro-5-methylindol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylbenzotriazol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(6-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one (CID 163458444) is 1-[4-[4-(4-chloro-5-methylindazol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[4-(4-chloro-5-methylindol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylbenzotriazol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(6-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[4-(4-chloro-5-methylindazol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[4-(4-chloro-5-methylindol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylbenzotriazol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(6-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[4-(4-chloro-5-methylindazol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[4-(4-chloro-5-methylindol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylbenzotriazol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(6-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(Oc2cc3c(-n4ccc5c(Cl)c(C)ccc54)ncnc3cc2OC)CC1.C=CC(=O)N1CCC(Oc2cc3c(-n4ccc5cc(C)ccc54)ncnc3cc2OC)CC1.C=CC(=O)N1CCC(Oc2cc3c(-n4ccc5ccc(C)cc54)ncnc3cc2OC)CC1.C=CC(=O)N1CCC(Oc2cc3c(-n4ncc5c(Cl)c(C)ccc54)ncnc3cc2OC)CC1.C=CC(=O)N1CCC(Oc2cc3c(-n4nnc5cc(C)ccc54)ncnc3cc2OC)CC1.
What is the InChIKey of 1-[4-[4-(4-chloro-5-methylindazol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[4-(4-chloro-5-methylindol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylbenzotriazol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(6-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one?
The InChIKey is BMMZHFMBGYMMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O3.2C26H26N4O3.C25H24ClN5O3.C24H24N6O3/c1-4-24(32)30-10-7-17(8-11-30)34-23-13-19-20(14-22(23)33-3)28-15-29-26(19)31-12-9-18-21(31)6-5-16(2)25(18)27;1-4-25(31)29-10-8-19(9-11-29)33-24-14-20-21(15-23(24)32-3)27-16-28-26(20)30-12-7-18-13-17(2)5-6-22(18)30;1-4-25(31)29-10-8-19(9-11-29)33-24-14-20-21(15-23(24)32-3)27-16-28-26(20)30-12-7-18-6-5-17(2)13-22(18)30;1-4-23(32)30-9-7-16(8-10-30)34-22-11-17-19(12-21(22)33-3)27-14-28-25(17)31-20-6-5-15(2)24(26)18(20)13-29-31;1-4-23(31)29-9-7-16(8-10-29)33-22-12-17-18(13-21(22)32-3)25-14-26-24(17)30-20-6-5-15(2)11-19(20)27-28-30/h4-6,9,12-15,17H,1,7-8,10-11H2,2-3H3;2*4-7,12-16,19H,1,8-11H2,2-3H3;4-6,11-14,16H,1,7-10H2,2-3H3;4-6,11-14,16H,1,7-10H2,2-3H3.
What are the key properties of 1-[4-[4-(4-chloro-5-methylindazol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[4-(4-chloro-5-methylindol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylbenzotriazol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(6-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one?
1-[4-[4-(4-chloro-5-methylindazol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[4-(4-chloro-5-methylindol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylbenzotriazol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(6-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one has a molecular weight of 2284.45 g/mol, XLogP of 21.72, 25 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-chloro-5-methylindazol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[4-(4-chloro-5-methylindol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylbenzotriazol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(6-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 163458444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).