3-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol

C20H17N3O3 — CID 23569367

IUPAC3-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol
SMILESCOc1cc2c(Nc3cc4ccccc4cc3O)ncnc2cc1CO
InChIInChI=1S/C20H17N3O3/c1-26-19-9-15-16(7-14(19)10-24)21-11-22-20(15)23-17-6-12-4-2-3-5-13(12)8-18(17)25/h2-9,11,24-25H,10H2,1H3,(H,21,22,23)
InChIKeyBLUDTXVUMIYCOC-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.73
Rot. Bonds4

About 3-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol

3-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol (PubChem CID 23569367) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol.

Molecular Properties

Compound Name3-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol
PubChem CID23569367
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name3-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol
SMILESCOc1cc2c(Nc3cc4ccccc4cc3O)ncnc2cc1CO
InChIInChI=1S/C20H17N3O3/c1-26-19-9-15-16(7-14(19)10-24)21-11-22-20(15)23-17-6-12-4-2-3-5-13(12)8-18(17)25/h2-9,11,24-25H,10H2,1H3,(H,21,22,23)
InChIKeyBLUDTXVUMIYCOC-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'}

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Related Compounds

2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol
CID 23569361
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
CID 23382229
1-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;3-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-2-ol;1-[(6,7-dimethoxyquinazolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 158618302
6,7-dimethoxy-N-(2-propylphenyl)quinazolin-4-amine
CID 68916243
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015
5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol
CID 15908166
2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol
CID 118112159
N-[4-[(2-fluorophenyl)methoxy]-2-methylphenyl]-6,7-dimethoxyquinazolin-4-amine
CID 54450095
N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane
CID 143086548
N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 122628529
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651

Frequently Asked Questions

What is the IUPAC name of 3-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol?
The IUPAC name of 3-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol (CID 23569367) is 3-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol.
What is the SMILES notation for 3-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol?
The canonical SMILES for 3-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol is COc1cc2c(Nc3cc4ccccc4cc3O)ncnc2cc1CO.
What is the InChIKey of 3-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol?
The InChIKey is BLUDTXVUMIYCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-26-19-9-15-16(7-14(19)10-24)21-11-22-20(15)23-17-6-12-4-2-3-5-13(12)8-18(17)25/h2-9,11,24-25H,10H2,1H3,(H,21,22,23).
What are the key properties of 3-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol?
3-[[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 3-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol is sourced from PubChem (CID 23569367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).