5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol

C19H16N4O3 — CID 15908166

IUPAC5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol
SMILESCOc1cc2ncnc(Nc3ccc(O)c4ncccc34)c2cc1OC
InChIInChI=1S/C19H16N4O3/c1-25-16-8-12-14(9-17(16)26-2)21-10-22-19(12)23-13-5-6-15(24)18-11(13)4-3-7-20-18/h3-10,24H,1-2H3,(H,21,22,23)
InChIKeyDSPJVVIDMZGAPA-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.64
Rot. Bonds4

About 5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol

5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol (PubChem CID 15908166) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol.

Molecular Properties

Compound Name5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol
PubChem CID15908166
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol
SMILESCOc1cc2ncnc(Nc3ccc(O)c4ncccc34)c2cc1OC
InChIInChI=1S/C19H16N4O3/c1-25-16-8-12-14(9-17(16)26-2)21-10-22-19(12)23-13-5-6-15(24)18-11(13)4-3-7-20-18/h3-10,24H,1-2H3,(H,21,22,23)
InChIKeyDSPJVVIDMZGAPA-UHFFFAOYSA-N
XLogP3.64
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-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

4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
CID 23382229
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
2-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]phenol
CID 23569361
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
3-[[7-(hydroxymethyl)-6-methoxyquinazolin-4-yl]amino]naphthalen-2-ol
CID 23569367
6,7-dimethoxy-N-(2-propylphenyl)quinazolin-4-amine
CID 68916243
3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride
CID 118112107
2-chloro-3-[[6-methoxy-7-(3-methoxypropoxy)quinazolin-4-yl]amino]phenol
CID 118112159
2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-3-fluorophenol;1,4-dimethylpiperazin-2-one
CID 142852522
6,7-dimethoxy-N-(2-methyl-4-propan-2-ylphenyl)quinazolin-4-amine;ethane
CID 170967439
N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 122628529

Frequently Asked Questions

What is the IUPAC name of 5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol?
The IUPAC name of 5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol (CID 15908166) is 5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol.
What is the SMILES notation for 5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol?
The canonical SMILES for 5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol is COc1cc2ncnc(Nc3ccc(O)c4ncccc34)c2cc1OC.
What is the InChIKey of 5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol?
The InChIKey is DSPJVVIDMZGAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-25-16-8-12-14(9-17(16)26-2)21-10-22-19(12)23-13-5-6-15(24)18-11(13)4-3-7-20-18/h3-10,24H,1-2H3,(H,21,22,23).
What are the key properties of 5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol?
5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol has a molecular weight of 348.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6,7-dimethoxyquinazolin-4-yl)amino]quinolin-8-ol is sourced from PubChem (CID 15908166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).