[7-(hydroxymethyl)-4-(3-methoxy-4-methylphenoxy)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-(naphthalen-1-ylmethyl)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-naphthalen-1-yloxyquinazolin-6-yl]methanol

C59H52N6O9 — CID 162099632

IUPAC[7-(hydroxymethyl)-4-(3-methoxy-4-methylphenoxy)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-(naphthalen-1-ylmethyl)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-naphthalen-1-yloxyquinazolin-6-yl]methanol
SMILESCOc1cc(Oc2ncnc3cc(CO)c(CO)cc23)ccc1C.OCc1cc2ncnc(Cc3cccc4ccccc34)c2cc1CO.OCc1cc2ncnc(Oc3cccc4ccccc34)c2cc1CO
InChIInChI=1S/C21H18N2O2.C20H16N2O3.C18H18N2O4/c24-11-16-8-19-20(22-13-23-21(19)10-17(16)12-25)9-15-6-3-5-14-4-1-2-7-18(14)15;23-10-14-8-17-18(9-15(14)11-24)21-12-22-20(17)25-19-7-3-5-13-4-1-2-6-16(13)19;1-11-3-4-14(7-17(11)23-2)24-18-15-5-12(8-21)13(9-22)6-16(15)19-10-20-18/h1-8,10,13,24-25H,9,11-12H2;1-9,12,23-24H,10-11H2;3-7,10,21-22H,8-9H2,1-2H3
InChIKeyZESAECYCIPMVEP-UHFFFAOYSA-N
MW989.10 g/mol
LogP9.64
Rot. Bonds13

About [7-(hydroxymethyl)-4-(3-methoxy-4-methylphenoxy)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-(naphthalen-1-ylmethyl)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-naphthalen-1-yloxyquinazolin-6-yl]methanol

[7-(hydroxymethyl)-4-(3-methoxy-4-methylphenoxy)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-(naphthalen-1-ylmethyl)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-naphthalen-1-yloxyquinazolin-6-yl]methanol (PubChem CID 162099632) has the molecular formula C59H52N6O9 and a molecular weight of 989.10 g/mol. Its IUPAC name is [7-(hydroxymethyl)-4-(3-methoxy-4-methylphenoxy)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-(naphthalen-1-ylmethyl)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-naphthalen-1-yloxyquinazolin-6-yl]methanol.

Molecular Properties

Compound Name[7-(hydroxymethyl)-4-(3-methoxy-4-methylphenoxy)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-(naphthalen-1-ylmethyl)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-naphthalen-1-yloxyquinazolin-6-yl]methanol
PubChem CID162099632
Molecular FormulaC59H52N6O9
Molecular Weight989.10 g/mol
Exact Mass988.38
IUPAC Name[7-(hydroxymethyl)-4-(3-methoxy-4-methylphenoxy)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-(naphthalen-1-ylmethyl)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-naphthalen-1-yloxyquinazolin-6-yl]methanol
SMILESCOc1cc(Oc2ncnc3cc(CO)c(CO)cc23)ccc1C.OCc1cc2ncnc(Cc3cccc4ccccc34)c2cc1CO.OCc1cc2ncnc(Oc3cccc4ccccc34)c2cc1CO
InChIInChI=1S/C21H18N2O2.C20H16N2O3.C18H18N2O4/c24-11-16-8-19-20(22-13-23-21(19)10-17(16)12-25)9-15-6-3-5-14-4-1-2-7-18(14)15;23-10-14-8-17-18(9-15(14)11-24)21-12-22-20(17)25-19-7-3-5-13-4-1-2-6-16(13)19;1-11-3-4-14(7-17(11)23-2)24-18-15-5-12(8-21)13(9-22)6-16(15)19-10-20-18/h1-8,10,13,24-25H,9,11-12H2;1-9,12,23-24H,10-11H2;3-7,10,21-22H,8-9H2,1-2H3
InChIKeyZESAECYCIPMVEP-UHFFFAOYSA-N
XLogP9.64
TPSA226.41 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms74
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500989.10
LogP ≤ 59.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze [7-(hydroxymethyl)-4-(3-methoxy-4-methylphenoxy)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-(naphthalen-1-ylmethyl)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-naphthalen-1-yloxyquinazolin-6-yl]methanol with MolForge

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Related Compounds

3-[6-(4-Methoxyphenyl)quinazolin-4-yl]oxyphenol
CID 86766683
2-(3,5-Dimethoxy-2-methylphenyl)-3-methylbenzo[g]quinazolin-3-ium;3-methyl-2-(2-methylphenyl)benzo[g]quinazolin-3-ium;1-methyl-2-(2-methylphenyl)-7-(trifluoromethyl)benzo[g]quinazolin-1-ium;3-methyl-2-(2,3,5-trimethylphenyl)benzo[g]quinazolin-3-ium
CID 158313754
5-(4-Hydroxybutoxy)-7-(naphthalen-1-yloxymethyl)-2-propan-2-ylchromen-4-one;5-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-methyl-7-quinolin-4-yloxychromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-(pyrimidin-5-ylmethoxy)chromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]chromen-4-one
CID 159542458
10,11,12,19,20,21,24,25,26,33,34,35,38,39,40-Pentadecamethoxy-5,7-diazatridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27,29,31,33,35,37(42),38,40-henicosaene
CID 134853934
25,34-Ditert-butyl-19,20,21,38,39,40-hexamethoxy-5,7,10,12-tetrazatridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaene
CID 139185399
1-[7-methoxy-4-[5-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]quinazolin-6-yl]ethanol
CID 70315724
1-[7-methoxy-4-[6-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]quinazolin-6-yl]ethanol
CID 70319666
[4-[(S)-[(2R,4R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[(S)-[(2R,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methoxy]-2,5-diphenylpyrimidin-4-yl]oxymethyl]quinolin-6-yl]methanol
CID 70659107
4-Butan-2-yloxy-6-(3,4-dimethoxyphenyl)quinazoline;6-(3,4-dimethoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinazoline;6-(3,4-dimethoxyphenyl)-4-propoxyquinazoline
CID 87786493
3-[6-(4-Methylphenyl)quinazolin-4-yl]oxyphenol
CID 89664285
[2,3-Bis(hydroxymethyl)-5-[4-(3-methylanilino)-6-[4-(3-methylanilino)-2-(3,4,5-trimethoxyphenyl)quinazolin-6-yl]quinazolin-2-yl]phenyl]methanol
CID 117825056
2-[6-(2-Aminopyrimidin-5-yl)-3,5-dimethyl-1-[11-[(2-methylpropan-2-yl)oxy]-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-10-yl]naphthalen-2-yl]acetic acid
CID 123223160

Frequently Asked Questions

What is the IUPAC name of [7-(hydroxymethyl)-4-(3-methoxy-4-methylphenoxy)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-(naphthalen-1-ylmethyl)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-naphthalen-1-yloxyquinazolin-6-yl]methanol?
The IUPAC name of [7-(hydroxymethyl)-4-(3-methoxy-4-methylphenoxy)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-(naphthalen-1-ylmethyl)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-naphthalen-1-yloxyquinazolin-6-yl]methanol (CID 162099632) is [7-(hydroxymethyl)-4-(3-methoxy-4-methylphenoxy)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-(naphthalen-1-ylmethyl)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-naphthalen-1-yloxyquinazolin-6-yl]methanol.
What is the SMILES notation for [7-(hydroxymethyl)-4-(3-methoxy-4-methylphenoxy)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-(naphthalen-1-ylmethyl)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-naphthalen-1-yloxyquinazolin-6-yl]methanol?
The canonical SMILES for [7-(hydroxymethyl)-4-(3-methoxy-4-methylphenoxy)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-(naphthalen-1-ylmethyl)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-naphthalen-1-yloxyquinazolin-6-yl]methanol is COc1cc(Oc2ncnc3cc(CO)c(CO)cc23)ccc1C.OCc1cc2ncnc(Cc3cccc4ccccc34)c2cc1CO.OCc1cc2ncnc(Oc3cccc4ccccc34)c2cc1CO.
What is the InChIKey of [7-(hydroxymethyl)-4-(3-methoxy-4-methylphenoxy)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-(naphthalen-1-ylmethyl)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-naphthalen-1-yloxyquinazolin-6-yl]methanol?
The InChIKey is ZESAECYCIPMVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2.C20H16N2O3.C18H18N2O4/c24-11-16-8-19-20(22-13-23-21(19)10-17(16)12-25)9-15-6-3-5-14-4-1-2-7-18(14)15;23-10-14-8-17-18(9-15(14)11-24)21-12-22-20(17)25-19-7-3-5-13-4-1-2-6-16(13)19;1-11-3-4-14(7-17(11)23-2)24-18-15-5-12(8-21)13(9-22)6-16(15)19-10-20-18/h1-8,10,13,24-25H,9,11-12H2;1-9,12,23-24H,10-11H2;3-7,10,21-22H,8-9H2,1-2H3.
What are the key properties of [7-(hydroxymethyl)-4-(3-methoxy-4-methylphenoxy)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-(naphthalen-1-ylmethyl)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-naphthalen-1-yloxyquinazolin-6-yl]methanol?
[7-(hydroxymethyl)-4-(3-methoxy-4-methylphenoxy)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-(naphthalen-1-ylmethyl)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-naphthalen-1-yloxyquinazolin-6-yl]methanol has a molecular weight of 989.10 g/mol, XLogP of 9.64, 13 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(hydroxymethyl)-4-(3-methoxy-4-methylphenoxy)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-(naphthalen-1-ylmethyl)quinazolin-6-yl]methanol;[7-(hydroxymethyl)-4-naphthalen-1-yloxyquinazolin-6-yl]methanol is sourced from PubChem (CID 162099632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).