4-(3-bromoanilino)-6-methoxyquinazolin-7-ol

C15H12BrN3O2 — CID 135533250

IUPAC4-(3-bromoanilino)-6-methoxyquinazolin-7-ol
SMILESCOc1cc2c(Nc3cccc(Br)c3)ncnc2cc1O
InChIInChI=1S/C15H12BrN3O2/c1-21-14-6-11-12(7-13(14)20)17-8-18-15(11)19-10-4-2-3-9(16)5-10/h2-8,20H,1H3,(H,17,18,19)
InChIKeyBJYRDYZDCOFXRU-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.85
Rot. Bonds3

About 4-(3-bromoanilino)-6-methoxyquinazolin-7-ol

4-(3-bromoanilino)-6-methoxyquinazolin-7-ol (PubChem CID 135533250) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 4-(3-bromoanilino)-6-methoxyquinazolin-7-ol.

Molecular Properties

Compound Name4-(3-bromoanilino)-6-methoxyquinazolin-7-ol
PubChem CID135533250
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name4-(3-bromoanilino)-6-methoxyquinazolin-7-ol
SMILESCOc1cc2c(Nc3cccc(Br)c3)ncnc2cc1O
InChIInChI=1S/C15H12BrN3O2/c1-21-14-6-11-12(7-13(14)20)17-8-18-15(11)19-10-4-2-3-9(16)5-10/h2-8,20H,1H3,(H,17,18,19)
InChIKeyBJYRDYZDCOFXRU-UHFFFAOYSA-N
XLogP3.85
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3-bromoanilino)-6-methoxyquinazolin-7-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-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol
CID 11142491
N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 169427940
4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
CID 137185960
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
CID 709498
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015
(2R,3R,4R,5R)-2-[4-(3-bromoanilino)-6-methoxyquinazolin-7-yl]oxy-5-fluorohexane-1,3,4,6-tetrol;hydrate
CID 141243550
(E)-4-bromo-N-[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]but-2-enamide
CID 22269894
1-[4-[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 25128049
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-methoxybenzamide
CID 71761877
N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 24936078
6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol
CID 137291069
N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide
CID 143862897

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoanilino)-6-methoxyquinazolin-7-ol?
The IUPAC name of 4-(3-bromoanilino)-6-methoxyquinazolin-7-ol (CID 135533250) is 4-(3-bromoanilino)-6-methoxyquinazolin-7-ol.
What is the SMILES notation for 4-(3-bromoanilino)-6-methoxyquinazolin-7-ol?
The canonical SMILES for 4-(3-bromoanilino)-6-methoxyquinazolin-7-ol is COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1O.
What is the InChIKey of 4-(3-bromoanilino)-6-methoxyquinazolin-7-ol?
The InChIKey is BJYRDYZDCOFXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-21-14-6-11-12(7-13(14)20)17-8-18-15(11)19-10-4-2-3-9(16)5-10/h2-8,20H,1H3,(H,17,18,19).
What are the key properties of 4-(3-bromoanilino)-6-methoxyquinazolin-7-ol?
4-(3-bromoanilino)-6-methoxyquinazolin-7-ol has a molecular weight of 346.18 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoanilino)-6-methoxyquinazolin-7-ol is sourced from PubChem (CID 135533250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).