[2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-3-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol

C124H129N19O8S4 — CID 158602221

IUPAC[2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-3-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol
SMILESCOc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(N)c2cc1OC.O=C(C1CCCN(c2nc(NCc3ccccc3Sc3ccccc3CO)nc3ccccc23)C1)N1CCCC1.O=C(C1CCCN(c2nc(NCc3ccccc3Sc3ccccc3CO)nc3ccccc23)C1)N1CCCCC1.OCc1ccccc1Sc1ccccc1CNc1nc(N2CCC(C3C=Nc4ccccc43)CC2)c2ccccc2n1
InChIInChI=1S/C35H33N5OS.C33H37N5O2S.C32H35N5O2S.C24H24N4O3S/c41-23-26-10-2-8-16-33(26)42-32-15-7-1-9-25(32)21-37-35-38-31-14-6-4-12-28(31)34(39-35)40-19-17-24(18-20-40)29-22-36-30-13-5-3-11-27(29)30;39-23-26-12-3-7-17-30(26)41-29-16-6-2-11-24(29)21-34-33-35-28-15-5-4-14-27(28)31(36-33)38-20-10-13-25(22-38)32(40)37-18-8-1-9-19-37;38-22-25-11-2-6-16-29(25)40-28-15-5-1-10-23(28)20-33-32-34-27-14-4-3-13-26(27)30(35-32)37-19-9-12-24(21-37)31(39)36-17-7-8-18-36;1-30-19-11-17-18(12-20(19)31-2)27-24(28-23(17)25)26-13-15-7-3-5-9-21(15)32-22-10-6-4-8-16(22)14-29/h1-16,22,24,29,41H,17-21,23H2,(H,37,38,39);2-7,11-12,14-17,25,39H,1,8-10,13,18-23H2,(H,34,35,36);1-6,10-11,13-16,24,38H,7-9,12,17-22H2,(H,33,34,35);3-12,29H,13-14H2,1-2H3,(H3,25,26,27,28)
InChIKeyHVTWLFPQFBQWKC-UHFFFAOYSA-N
MW2141.79 g/mol
LogP23.92
Rot. Bonds32

About [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-3-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol

[2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-3-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol (PubChem CID 158602221) has the molecular formula C124H129N19O8S4 and a molecular weight of 2141.79 g/mol. Its IUPAC name is [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-3-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol.

Molecular Properties

Compound Name[2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-3-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol
PubChem CID158602221
Molecular FormulaC124H129N19O8S4
Molecular Weight2141.79 g/mol
Exact Mass2139.92
IUPAC Name[2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-3-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol
SMILESCOc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(N)c2cc1OC.O=C(C1CCCN(c2nc(NCc3ccccc3Sc3ccccc3CO)nc3ccccc23)C1)N1CCCC1.O=C(C1CCCN(c2nc(NCc3ccccc3Sc3ccccc3CO)nc3ccccc23)C1)N1CCCCC1.OCc1ccccc1Sc1ccccc1CNc1nc(N2CCC(C3C=Nc4ccccc43)CC2)c2ccccc2n1
InChIInChI=1S/C35H33N5OS.C33H37N5O2S.C32H35N5O2S.C24H24N4O3S/c41-23-26-10-2-8-16-33(26)42-32-15-7-1-9-25(32)21-37-35-38-31-14-6-4-12-28(31)34(39-35)40-19-17-24(18-20-40)29-22-36-30-13-5-3-11-27(29)30;39-23-26-12-3-7-17-30(26)41-29-16-6-2-11-24(29)21-34-33-35-28-15-5-4-14-27(28)31(36-33)38-20-10-13-25(22-38)32(40)37-18-8-1-9-19-37;38-22-25-11-2-6-16-29(25)40-28-15-5-1-10-23(28)20-33-32-34-27-14-4-3-13-26(27)30(35-32)37-19-9-12-24(21-37)31(39)36-17-7-8-18-36;1-30-19-11-17-18(12-20(19)31-2)27-24(28-23(17)25)26-13-15-7-3-5-9-21(15)32-22-10-6-4-8-16(22)14-29/h1-16,22,24,29,41H,17-21,23H2,(H,37,38,39);2-7,11-12,14-17,25,39H,1,8-10,13,18-23H2,(H,34,35,36);1-6,10-11,13-16,24,38H,7-9,12,17-22H2,(H,33,34,35);3-12,29H,13-14H2,1-2H3,(H3,25,26,27,28)
InChIKeyHVTWLFPQFBQWKC-UHFFFAOYSA-N
XLogP23.92
TPSA339.34 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds32
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002141.79
LogP ≤ 523.92
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Analyze [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-3-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol with MolForge

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Related Compounds

[2-[2-[[[4-(2,3-dihydro-1H-inden-1-ylmethylideneamino)-6,7-dimethoxyquinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol
CID 143506443
[2-[2-[[[4-Amino-6-[[3-[2-[[[4-(cyclopentylamino)quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methoxy]-7-methoxyquinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol
CID 143506473
3-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]-N,N-dimethylbenzamide;[5-[3-[(1R)-1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol
CID 146197307
3-[3-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]-N,N-dimethylbenzamide;[5-[3-[1-[(6,7-dimethoxy-2-methylquinazolin-4-yl)amino]ethyl]phenyl]thiophen-2-yl]methanol
CID 146197310
[2-[2-[[[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;(1S,2R)-1-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]-6,7-dimethoxyquinazolin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol;1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidine-4-carboxamide;(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidine-2-carboxamide;[(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-2-yl]methanol
CID 157752181
[2-[2-[[[4-(cyclopentylamino)-6,7-dimethoxyquinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;(1S,2R)-1-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]-6,7-dimethoxyquinazolin-4-yl]amino]-2,3-dihydro-1H-inden-2-ol;1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidine-4-carboxamide
CID 157868273
[2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-(cyclopentylamino)-6,7-dimethoxyquinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-3-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol
CID 158425297
[2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-(cyclopentylamino)-6,7-dimethoxyquinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-4-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol
CID 158860395
3-(3,4-dimethoxyphenyl)-3-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]propan-1-ol;3-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]-3-(4-methylsulfanylphenyl)propan-1-ol;(2R)-2-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]-2-phenylethanol;(3R)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-3-ol
CID 159376807
[2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[2-[2-[[[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]methanol;(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidine-2-carboxamide;[(2S)-1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]pyrrolidin-2-yl]methanol
CID 159427781
3-(1,3-benzodioxol-5-yl)-3-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]propan-1-ol;3-(3,4-dimethoxyphenyl)-3-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]propan-1-ol;3-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]-3-(4-methylsulfanylphenyl)propan-1-ol;(2R)-2-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]-2-phenylethanol;(2S)-2-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]-3-phenylpropan-1-ol
CID 159878855
3-(1,3-benzodioxol-5-yl)-3-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]propan-1-ol;cis-(1R,2S)-2-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]cyclopentane-1-carboxamide;3-(3,4-dimethoxyphenyl)-3-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]propan-1-ol;(2R)-2-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]-2-phenylethanol;2-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]propan-1-ol
CID 159950044

Frequently Asked Questions

What is the IUPAC name of [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-3-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol?
The IUPAC name of [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-3-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol (CID 158602221) is [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-3-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol.
What is the SMILES notation for [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-3-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol?
The canonical SMILES for [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-3-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol is COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(N)c2cc1OC.O=C(C1CCCN(c2nc(NCc3ccccc3Sc3ccccc3CO)nc3ccccc23)C1)N1CCCC1.O=C(C1CCCN(c2nc(NCc3ccccc3Sc3ccccc3CO)nc3ccccc23)C1)N1CCCCC1.OCc1ccccc1Sc1ccccc1CNc1nc(N2CCC(C3C=Nc4ccccc43)CC2)c2ccccc2n1.
What is the InChIKey of [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-3-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol?
The InChIKey is HVTWLFPQFBQWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N5OS.C33H37N5O2S.C32H35N5O2S.C24H24N4O3S/c41-23-26-10-2-8-16-33(26)42-32-15-7-1-9-25(32)21-37-35-38-31-14-6-4-12-28(31)34(39-35)40-19-17-24(18-20-40)29-22-36-30-13-5-3-11-27(29)30;39-23-26-12-3-7-17-30(26)41-29-16-6-2-11-24(29)21-34-33-35-28-15-5-4-14-27(28)31(36-33)38-20-10-13-25(22-38)32(40)37-18-8-1-9-19-37;38-22-25-11-2-6-16-29(25)40-28-15-5-1-10-23(28)20-33-32-34-27-14-4-3-13-26(27)30(35-32)37-19-9-12-24(21-37)31(39)36-17-7-8-18-36;1-30-19-11-17-18(12-20(19)31-2)27-24(28-23(17)25)26-13-15-7-3-5-9-21(15)32-22-10-6-4-8-16(22)14-29/h1-16,22,24,29,41H,17-21,23H2,(H,37,38,39);2-7,11-12,14-17,25,39H,1,8-10,13,18-23H2,(H,34,35,36);1-6,10-11,13-16,24,38H,7-9,12,17-22H2,(H,33,34,35);3-12,29H,13-14H2,1-2H3,(H3,25,26,27,28).
What are the key properties of [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-3-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol?
[2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-3-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol has a molecular weight of 2141.79 g/mol, XLogP of 23.92, 32 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]methyl]phenyl]sulfanylphenyl]methanol;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-piperidin-1-ylmethanone;[1-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;[2-[2-[[[4-[4-(3H-indol-3-yl)piperidin-1-yl]quinazolin-2-yl]amino]methyl]phenyl]sulfanylphenyl]methanol is sourced from PubChem (CID 158602221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).