4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol

C20H17N3O3 — CID 23382229

IUPAC4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
SMILESCOc1cc2ncnc(Nc3ccc(O)c4ccccc34)c2cc1OC
InChIInChI=1S/C20H17N3O3/c1-25-18-9-14-16(10-19(18)26-2)21-11-22-20(14)23-15-7-8-17(24)13-6-4-3-5-12(13)15/h3-11,24H,1-2H3,(H,21,22,23)
InChIKeyCSBTVKFDWGOUES-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.25
Rot. Bonds4

About 4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol

4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol (PubChem CID 23382229) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol.

Molecular Properties

Compound Name4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
PubChem CID23382229
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
SMILESCOc1cc2ncnc(Nc3ccc(O)c4ccccc34)c2cc1OC
InChIInChI=1S/C20H17N3O3/c1-25-18-9-14-16(10-19(18)26-2)21-11-22-20(14)23-15-7-8-17(24)13-6-4-3-5-12(13)15/h3-11,24H,1-2H3,(H,21,22,23)
InChIKeyCSBTVKFDWGOUES-UHFFFAOYSA-N
XLogP4.25
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol
CID 15908166
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015
2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol
CID 23569361
3-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol
CID 23569367
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
6,7-dimethoxy-N-(2-propylphenyl)quinazolin-4-amine
CID 68916243
N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 122628529
3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride
CID 118112107
6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine
CID 122628532
2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol
CID 118112159
6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane
CID 170967439

Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol?
The IUPAC name of 4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol (CID 23382229) is 4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol.
What is the SMILES notation for 4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol?
The canonical SMILES for 4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol is COc1cc2ncnc(Nc3ccc(O)c4ccccc34)c2cc1OC.
What is the InChIKey of 4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol?
The InChIKey is CSBTVKFDWGOUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-25-18-9-14-16(10-19(18)26-2)21-11-22-20(14)23-15-7-8-17(24)13-6-4-3-5-12(13)15/h3-11,24H,1-2H3,(H,21,22,23).
What are the key properties of 4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol?
4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol has a molecular weight of 347.37 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol is sourced from PubChem (CID 23382229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).