1-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol

C20H17N3O3 — CID 23569353

IUPAC1-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol
SMILESCOc1cc2c(Nc3c(O)ccc4ccccc34)ncnc2cc1CO
InChIInChI=1S/C20H17N3O3/c1-26-18-9-15-16(8-13(18)10-24)21-11-22-20(15)23-19-14-5-3-2-4-12(14)6-7-17(19)25/h2-9,11,24-25H,10H2,1H3,(H,21,22,23)
InChIKeyVCIJNWSQQIAKBN-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.73
Rot. Bonds4

About 1-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol

1-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol (PubChem CID 23569353) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 1-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol
PubChem CID23569353
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name1-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol
SMILESCOc1cc2c(Nc3c(O)ccc4ccccc34)ncnc2cc1CO
InChIInChI=1S/C20H17N3O3/c1-26-18-9-15-16(8-13(18)10-24)21-11-22-20(15)23-19-14-5-3-2-4-12(14)6-7-17(19)25/h2-9,11,24-25H,10H2,1H3,(H,21,22,23)
InChIKeyVCIJNWSQQIAKBN-UHFFFAOYSA-N
XLogP3.73
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
4-{[4-(Benzyloxy)phenyl]amino}quinazolin-6-ol
CID 5329481
N-[4-(benzyloxy)phenyl]-6-(prop-2-en-1-yloxy)quinazolin-4-amine
CID 5329485
5-[(8-Methoxy-2-methyl-7-prop-2-enylquinolin-5-yl)methyl]pyrimidine-2,4-diamine
CID 12849779
5-[(8-Methoxy-7-propylquinolin-5-yl)methyl]pyrimidine-2,4-diamine
CID 12849783
7-[(3-Methoxyphenyl)(2-pyridylamino)methyl]quinolin-8-ol
CID 2895355
N-[4-(benzyloxy)phenyl]-6-methoxyquinazolin-4-amine hydrochloride
CID 57398154
7-[(3-Methoxyphenyl)-[(4-methylpyridin-2-yl)amino]methyl]quinolin-8-ol
CID 3509393
2-{(4Z)-4-[(2-methoxy-5-methylphenyl)imino]-3,4-dihydroquinazolin-2-yl}phenol
CID 1395085
Phenol, 2-[(6,7-dimethoxy-4-quinazolinyl)amino]-
CID 9926213
3-[(6,7-Dimethoxyquinazolin-4-yl)amino]-2-ethylphenol
CID 118112056
US9670214, Table 14.2
CID 68628179

Frequently Asked Questions

What is the IUPAC name of 1-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol?
The IUPAC name of 1-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol (CID 23569353) is 1-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol.
What is the SMILES notation for 1-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol?
The canonical SMILES for 1-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol is COc1cc2c(Nc3c(O)ccc4ccccc34)ncnc2cc1CO.
What is the InChIKey of 1-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol?
The InChIKey is VCIJNWSQQIAKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-26-18-9-15-16(8-13(18)10-24)21-11-22-20(15)23-19-14-5-3-2-4-12(14)6-7-17(19)25/h2-9,11,24-25H,10H2,1H3,(H,21,22,23).
What are the key properties of 1-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol?
1-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol has a molecular weight of 347.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol is sourced from PubChem (CID 23569353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).