4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol

C15H12BrN3O2 — CID 11142491

IUPAC4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol
SMILES[11CH3]Oc1cc2ncnc(Nc3cccc(Br)c3)c2cc1O
InChIInChI=1S/C15H12BrN3O2/c1-21-14-7-12-11(6-13(14)20)15(18-8-17-12)19-10-4-2-3-9(16)5-10/h2-8,20H,1H3,(H,17,18,19)/i1-1
InChIKeyDZWMMLDTYCTYBC-BJUDXGSMSA-N
MW345.18 g/mol
LogP3.85
Rot. Bonds3

About 4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol

4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol (PubChem CID 11142491) has the molecular formula C15H12BrN3O2 and a molecular weight of 345.18 g/mol. Its IUPAC name is 4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol.

Molecular Properties

Compound Name4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol
PubChem CID11142491
Molecular FormulaC15H12BrN3O2
Molecular Weight345.18 g/mol
Exact Mass344.02
IUPAC Name4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol
SMILES[11CH3]Oc1cc2ncnc(Nc3cccc(Br)c3)c2cc1O
InChIInChI=1S/C15H12BrN3O2/c1-21-14-7-12-11(6-13(14)20)15(18-8-17-12)19-10-4-2-3-9(16)5-10/h2-8,20H,1H3,(H,17,18,19)/i1-1
InChIKeyDZWMMLDTYCTYBC-BJUDXGSMSA-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 ≤ 500345.18
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-bromoanilino)-6-methoxyquinazolin-7-ol
CID 135533250
N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 169427940
(E)-4-bromo-N-[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]but-2-enamide
CID 22269894
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
CID 709498
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015
4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol
CID 143731355
(2R,3R,4R,5R)-2-[4-(3-bromoanilino)-6-methoxyquinazolin-7-yl]oxy-5-fluorohexane-1,3,4,6-tetrol;hydrate
CID 141243550
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
4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
CID 137185960
N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 163979167

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol?
The IUPAC name of 4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol (CID 11142491) is 4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol.
What is the SMILES notation for 4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol?
The canonical SMILES for 4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol is [11CH3]Oc1cc2ncnc(Nc3cccc(Br)c3)c2cc1O.
What is the InChIKey of 4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol?
The InChIKey is DZWMMLDTYCTYBC-BJUDXGSMSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-21-14-7-12-11(6-13(14)20)15(18-8-17-12)19-10-4-2-3-9(16)5-10/h2-8,20H,1H3,(H,17,18,19)/i1-1.
What are the key properties of 4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol?
4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol has a molecular weight of 345.18 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)-7-(111C)methoxyquinazolin-6-ol is sourced from PubChem (CID 11142491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).