6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine

C15H12BrN3O — CID 709498

IUPAC6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(Nc2ncnc3ccc(Br)cc23)c1
InChIInChI=1S/C15H12BrN3O/c1-20-12-4-2-3-11(8-12)19-15-13-7-10(16)5-6-14(13)17-9-18-15/h2-9H,1H3,(H,17,18,19)
InChIKeyOHDCCQWORSBHJT-UHFFFAOYSA-N
MW330.19 g/mol
LogP4.14
Rot. Bonds3

About 6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine

6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine (PubChem CID 709498) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
PubChem CID709498
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(Nc2ncnc3ccc(Br)cc23)c1
InChIInChI=1S/C15H12BrN3O/c1-20-12-4-2-3-11(8-12)19-15-13-7-10(16)5-6-14(13)17-9-18-15/h2-9H,1H3,(H,17,18,19)
InChIKeyOHDCCQWORSBHJT-UHFFFAOYSA-N
XLogP4.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea
CID 44569335
7-methoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 21003078
6-N-(2-chloroethyl)-4-N-(3-methoxyphenyl)quinazoline-4,6-diamine
CID 166972075
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
(2S)-2-chloro-1-[4-(3-methoxyanilino)quinazolin-6-yl]propan-1-one
CID 169450910
1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea
CID 44569443
[3-[(6-bromoquinazolin-4-yl)amino]phenyl] 4-fluorobenzoate
CID 23883890
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-methoxybenzamide
CID 71761877
6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine
CID 121416177
N-(3-ethynylphenyl)-6-methoxyquinazolin-4-amine;hydrochloride
CID 18925055
4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol
CID 11142491
4-(3-bromoanilino)-6-methoxyquinazolin-7-ol
CID 135533250

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine (CID 709498) is 6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine is COc1cccc(Nc2ncnc3ccc(Br)cc23)c1.
What is the InChIKey of 6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine?
The InChIKey is OHDCCQWORSBHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-20-12-4-2-3-11(8-12)19-15-13-7-10(16)5-6-14(13)17-9-18-15/h2-9H,1H3,(H,17,18,19).
What are the key properties of 6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine?
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine has a molecular weight of 330.19 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 709498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).