[3-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)azetidin-1-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(4-ethylpiperazine-1-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-pyridinyl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(morpholine-4-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1H-pyrrol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-pyridin-4-yl-1H-indol-2-yl)butan-1-one

C165H170N32O22S6 — CID 159023405

IUPAC[3-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)azetidin-1-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(4-ethylpiperazine-1-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-pyridinyl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(morpholine-4-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1H-pyrrol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-pyridin-4-yl-1H-indol-2-yl)butan-1-one
SMILESCCN1CCN(C(=O)c2ccc3[nH]c(C(=O)CCCn4c(N)c5cc(OC)c(OC)cc5nc4=S)cc3c2)CC1.COc1cc2nc(=S)n(C3CN(C(=O)c4cc5cc(-c6cccnc6)ccc5[nH]4)C3)c(N)c2cc1OC.COc1cc2nc(=S)n(CCCC(=O)c3cc4cc(-c5ccncc5)ccc4[nH]3)c(N)c2cc1OC.COc1cc2nc(=S)n(CCCC(=O)c3cc4cc(C(=O)N5CCOCC5)ccc4[nH]3)c(N)c2cc1OC.COc1cc2nc(=S)n(CCCC(=O)c3ccc(-c4ccccc4)[nH]3)c(N)c2cc1OC.COc1cc2nc(=S)n(CCCC(=O)c3cccc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)n3)c(N)c2cc1OC
InChIInChI=1S/C31H34N6O4S.C29H34N6O4S.C27H24N6O3S.C27H29N5O5S.C27H25N5O3S.C24H24N4O3S/c1-35-14-16-36(17-15-35)30(39)21-11-9-20(10-12-21)23-6-4-7-24(33-23)26(38)8-5-13-37-29(32)22-18-27(40-2)28(41-3)19-25(22)34-31(37)42;1-4-33-10-12-34(13-11-33)28(37)18-7-8-21-19(14-18)15-23(31-21)24(36)6-5-9-35-27(30)20-16-25(38-2)26(39-3)17-22(20)32-29(35)40;1-35-23-10-19-21(11-24(23)36-2)31-27(37)33(25(19)28)18-13-32(14-18)26(34)22-9-17-8-15(5-6-20(17)30-22)16-4-3-7-29-12-16;1-35-23-14-18-20(15-24(23)36-2)30-27(38)32(25(18)28)7-3-4-22(33)21-13-17-12-16(5-6-19(17)29-21)26(34)31-8-10-37-11-9-31;1-34-24-14-19-21(15-25(24)35-2)31-27(36)32(26(19)28)11-3-4-23(33)22-13-18-12-17(5-6-20(18)30-22)16-7-9-29-10-8-16;1-30-21-13-16-19(14-22(21)31-2)27-24(32)28(23(16)25)12-6-9-20(29)18-11-10-17(26-18)15-7-4-3-5-8-15/h4,6-7,9-12,18-19H,5,8,13-17,32H2,1-3H3;7-8,14-17,31H,4-6,9-13,30H2,1-3H3;3-12,18,30H,13-14,28H2,1-2H3;5-6,12-15,29H,3-4,7-11,28H2,1-2H3;5-10,12-15,30H,3-4,11,28H2,1-2H3;3-5,7-8,10-11,13-14,26H,6,9,12,25H2,1-2H3
InChIKeyNERJFYFXRGJXPM-UHFFFAOYSA-N
MW3145.78 g/mol
LogP27.95
Rot. Bonds47

About [3-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)azetidin-1-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(4-ethylpiperazine-1-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-pyridinyl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(morpholine-4-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1H-pyrrol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-pyridin-4-yl-1H-indol-2-yl)butan-1-one

[3-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)azetidin-1-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(4-ethylpiperazine-1-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-pyridinyl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(morpholine-4-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1H-pyrrol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-pyridin-4-yl-1H-indol-2-yl)butan-1-one (PubChem CID 159023405) has the molecular formula C165H170N32O22S6 and a molecular weight of 3145.78 g/mol. Its IUPAC name is [3-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)azetidin-1-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(4-ethylpiperazine-1-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-pyridinyl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(morpholine-4-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1H-pyrrol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-pyridin-4-yl-1H-indol-2-yl)butan-1-one.

Molecular Properties

Compound Name[3-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)azetidin-1-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(4-ethylpiperazine-1-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-pyridinyl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(morpholine-4-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1H-pyrrol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-pyridin-4-yl-1H-indol-2-yl)butan-1-one
PubChem CID159023405
Molecular FormulaC165H170N32O22S6
Molecular Weight3145.78 g/mol
Exact Mass3143.15
IUPAC Name[3-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)azetidin-1-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(4-ethylpiperazine-1-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-pyridinyl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(morpholine-4-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1H-pyrrol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-pyridin-4-yl-1H-indol-2-yl)butan-1-one
SMILESCCN1CCN(C(=O)c2ccc3[nH]c(C(=O)CCCn4c(N)c5cc(OC)c(OC)cc5nc4=S)cc3c2)CC1.COc1cc2nc(=S)n(C3CN(C(=O)c4cc5cc(-c6cccnc6)ccc5[nH]4)C3)c(N)c2cc1OC.COc1cc2nc(=S)n(CCCC(=O)c3cc4cc(-c5ccncc5)ccc4[nH]3)c(N)c2cc1OC.COc1cc2nc(=S)n(CCCC(=O)c3cc4cc(C(=O)N5CCOCC5)ccc4[nH]3)c(N)c2cc1OC.COc1cc2nc(=S)n(CCCC(=O)c3ccc(-c4ccccc4)[nH]3)c(N)c2cc1OC.COc1cc2nc(=S)n(CCCC(=O)c3cccc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)n3)c(N)c2cc1OC
InChIInChI=1S/C31H34N6O4S.C29H34N6O4S.C27H24N6O3S.C27H29N5O5S.C27H25N5O3S.C24H24N4O3S/c1-35-14-16-36(17-15-35)30(39)21-11-9-20(10-12-21)23-6-4-7-24(33-23)26(38)8-5-13-37-29(32)22-18-27(40-2)28(41-3)19-25(22)34-31(37)42;1-4-33-10-12-34(13-11-33)28(37)18-7-8-21-19(14-18)15-23(31-21)24(36)6-5-9-35-27(30)20-16-25(38-2)26(39-3)17-22(20)32-29(35)40;1-35-23-10-19-21(11-24(23)36-2)31-27(37)33(25(19)28)18-13-32(14-18)26(34)22-9-17-8-15(5-6-20(17)30-22)16-4-3-7-29-12-16;1-35-23-14-18-20(15-24(23)36-2)30-27(38)32(25(18)28)7-3-4-22(33)21-13-17-12-16(5-6-19(17)29-21)26(34)31-8-10-37-11-9-31;1-34-24-14-19-21(15-25(24)35-2)31-27(36)32(26(19)28)11-3-4-23(33)22-13-18-12-17(5-6-20(18)30-22)16-7-9-29-10-8-16;1-30-21-13-16-19(14-22(21)31-2)27-24(32)28(23(16)25)12-6-9-20(29)18-11-10-17(26-18)15-7-4-3-5-8-15/h4,6-7,9-12,18-19H,5,8,13-17,32H2,1-3H3;7-8,14-17,31H,4-6,9-13,30H2,1-3H3;3-12,18,30H,13-14,28H2,1-2H3;5-6,12-15,29H,3-4,7-11,28H2,1-2H3;5-10,12-15,30H,3-4,11,28H2,1-2H3;3-5,7-8,10-11,13-14,26H,6,9,12,25H2,1-2H3
InChIKeyNERJFYFXRGJXPM-UHFFFAOYSA-N
XLogP27.95
TPSA673.72 Ų
H-Bond Donors11
H-Bond Acceptors51
Rotatable Bonds47
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003145.78
LogP ≤ 527.95
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze [3-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)azetidin-1-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(4-ethylpiperazine-1-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-pyridinyl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(morpholine-4-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1H-pyrrol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-pyridin-4-yl-1H-indol-2-yl)butan-1-one with MolForge

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Launch Full Analysis

Related Compounds

4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(4-ethylpiperazine-1-carbonyl)-1H-indol-2-yl]butan-1-one
CID 158430929
4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(azetidine-1-carbonyl)-1H-indol-2-yl]butan-1-one
CID 159465755
N-[2-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)ethyl]-5-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 135142614
[3-(4-imino-6,7-dimethoxy-2-methylsulfanylquinazolin-3-yl)azetidin-1-yl]-(6-pyridin-3-yl-1H-indol-2-yl)methanone
CID 135142636
2-N-[2-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)ethyl]-5-N-[2-(ethylamino)ethyl]-1H-indole-2,5-dicarboxamide
CID 135142497
[4-(6-methoxy-3-pyridin-3-yl-9H-pyrido[3,4-b]indol-5-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 67235332
[1-(5-pyridin-3-yl-1H-indole-2-carbonyl)azetidin-3-yl]carbamic acid
CID 135122320
12-[3-[(dimethylamino)methyl]-4-methoxybenzoyl]-15-methyl-5-pyridin-3-yl-9-oxa-12,15-diazatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-16-one
CID 110065979
[4-(3-amino-4-ethyl-6-phenyl-2-pyridinyl)piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
CID 71431492
6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one
CID 146900863
[4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-3-yl-1H-pyrrol-2-yl)methanone
CID 10499664
[4-(6,7-dimethoxy-2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 171988085

Frequently Asked Questions

What is the IUPAC name of [3-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)azetidin-1-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(4-ethylpiperazine-1-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-pyridinyl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(morpholine-4-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1H-pyrrol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-pyridin-4-yl-1H-indol-2-yl)butan-1-one?
The IUPAC name of [3-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)azetidin-1-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(4-ethylpiperazine-1-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-pyridinyl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(morpholine-4-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1H-pyrrol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-pyridin-4-yl-1H-indol-2-yl)butan-1-one (CID 159023405) is [3-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)azetidin-1-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(4-ethylpiperazine-1-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-pyridinyl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(morpholine-4-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1H-pyrrol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-pyridin-4-yl-1H-indol-2-yl)butan-1-one.
What is the SMILES notation for [3-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)azetidin-1-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(4-ethylpiperazine-1-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-pyridinyl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(morpholine-4-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1H-pyrrol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-pyridin-4-yl-1H-indol-2-yl)butan-1-one?
The canonical SMILES for [3-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)azetidin-1-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(4-ethylpiperazine-1-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-pyridinyl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(morpholine-4-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1H-pyrrol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-pyridin-4-yl-1H-indol-2-yl)butan-1-one is CCN1CCN(C(=O)c2ccc3[nH]c(C(=O)CCCn4c(N)c5cc(OC)c(OC)cc5nc4=S)cc3c2)CC1.COc1cc2nc(=S)n(C3CN(C(=O)c4cc5cc(-c6cccnc6)ccc5[nH]4)C3)c(N)c2cc1OC.COc1cc2nc(=S)n(CCCC(=O)c3cc4cc(-c5ccncc5)ccc4[nH]3)c(N)c2cc1OC.COc1cc2nc(=S)n(CCCC(=O)c3cc4cc(C(=O)N5CCOCC5)ccc4[nH]3)c(N)c2cc1OC.COc1cc2nc(=S)n(CCCC(=O)c3ccc(-c4ccccc4)[nH]3)c(N)c2cc1OC.COc1cc2nc(=S)n(CCCC(=O)c3cccc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)n3)c(N)c2cc1OC.
What is the InChIKey of [3-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)azetidin-1-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(4-ethylpiperazine-1-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-pyridinyl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(morpholine-4-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1H-pyrrol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-pyridin-4-yl-1H-indol-2-yl)butan-1-one?
The InChIKey is NERJFYFXRGJXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O4S.C29H34N6O4S.C27H24N6O3S.C27H29N5O5S.C27H25N5O3S.C24H24N4O3S/c1-35-14-16-36(17-15-35)30(39)21-11-9-20(10-12-21)23-6-4-7-24(33-23)26(38)8-5-13-37-29(32)22-18-27(40-2)28(41-3)19-25(22)34-31(37)42;1-4-33-10-12-34(13-11-33)28(37)18-7-8-21-19(14-18)15-23(31-21)24(36)6-5-9-35-27(30)20-16-25(38-2)26(39-3)17-22(20)32-29(35)40;1-35-23-10-19-21(11-24(23)36-2)31-27(37)33(25(19)28)18-13-32(14-18)26(34)22-9-17-8-15(5-6-20(17)30-22)16-4-3-7-29-12-16;1-35-23-14-18-20(15-24(23)36-2)30-27(38)32(25(18)28)7-3-4-22(33)21-13-17-12-16(5-6-19(17)29-21)26(34)31-8-10-37-11-9-31;1-34-24-14-19-21(15-25(24)35-2)31-27(36)32(26(19)28)11-3-4-23(33)22-13-18-12-17(5-6-20(18)30-22)16-7-9-29-10-8-16;1-30-21-13-16-19(14-22(21)31-2)27-24(32)28(23(16)25)12-6-9-20(29)18-11-10-17(26-18)15-7-4-3-5-8-15/h4,6-7,9-12,18-19H,5,8,13-17,32H2,1-3H3;7-8,14-17,31H,4-6,9-13,30H2,1-3H3;3-12,18,30H,13-14,28H2,1-2H3;5-6,12-15,29H,3-4,7-11,28H2,1-2H3;5-10,12-15,30H,3-4,11,28H2,1-2H3;3-5,7-8,10-11,13-14,26H,6,9,12,25H2,1-2H3.
What are the key properties of [3-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)azetidin-1-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(4-ethylpiperazine-1-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-pyridinyl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(morpholine-4-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1H-pyrrol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-pyridin-4-yl-1H-indol-2-yl)butan-1-one?
[3-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)azetidin-1-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(4-ethylpiperazine-1-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-pyridinyl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(morpholine-4-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1H-pyrrol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-pyridin-4-yl-1H-indol-2-yl)butan-1-one has a molecular weight of 3145.78 g/mol, XLogP of 27.95, 47 rotatable bonds, 11 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)azetidin-1-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(4-ethylpiperazine-1-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2-pyridinyl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-[5-(morpholine-4-carbonyl)-1H-indol-2-yl]butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-phenyl-1H-pyrrol-2-yl)butan-1-one;4-(4-amino-6,7-dimethoxy-2-sulfanylidenequinazolin-3-yl)-1-(5-pyridin-4-yl-1H-indol-2-yl)butan-1-one is sourced from PubChem (CID 159023405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).