1-[(4-bromophenyl)methyl]-3-quinazolin-8-ylurea

C16H13BrN4O — CID 11302766

IUPAC1-[(4-bromophenyl)methyl]-3-quinazolin-8-ylurea
SMILESO=C(NCc1ccc(Br)cc1)Nc1cccc2cncnc12
InChIInChI=1S/C16H13BrN4O/c17-13-6-4-11(5-7-13)8-19-16(22)21-14-3-1-2-12-9-18-10-20-15(12)14/h1-7,9-10H,8H2,(H2,19,21,22)
InChIKeyHUPXBWYDCNIXNH-UHFFFAOYSA-N
MW357.21 g/mol
LogP3.71
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-3-quinazolin-8-ylurea

1-[(4-bromophenyl)methyl]-3-quinazolin-8-ylurea (PubChem CID 11302766) has the molecular formula C16H13BrN4O and a molecular weight of 357.21 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-quinazolin-8-ylurea.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-quinazolin-8-ylurea
PubChem CID11302766
Molecular FormulaC16H13BrN4O
Molecular Weight357.21 g/mol
Exact Mass356.03
IUPAC Name1-[(4-bromophenyl)methyl]-3-quinazolin-8-ylurea
SMILESO=C(NCc1ccc(Br)cc1)Nc1cccc2cncnc12
InChIInChI=1S/C16H13BrN4O/c17-13-6-4-11(5-7-13)8-19-16(22)21-14-3-1-2-12-9-18-10-20-15(12)14/h1-7,9-10H,8H2,(H2,19,21,22)
InChIKeyHUPXBWYDCNIXNH-UHFFFAOYSA-N
XLogP3.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-bromophenyl)methyl]-3-quinazolin-8-ylurea 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

N-(3-bromophenyl)pyrazino[2,3-g]quinazolin-4-amine
CID 5328246
4-N-(3-bromophenyl)quinazoline-4,8-diamine
CID 5328048
3-Quinazolin-8-yl-1-{[4-(trifluoromethyl)phenyl]methyl}urea
CID 11221698
4-N-[(4-bromophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328083
1-[4-(3-Bromoanilino)quinazolin-6-yl]-3-(2-piperidin-1-ylethyl)urea
CID 127048981
[4-(4-Bromoanilino)quinazolin-6-yl]urea
CID 127049689
N-[4-(3-bromoanilino)quinazolin-6-yl]acetamide
CID 68196023
Quinazolin-8-amine
CID 11344089
4-N-benzylquinazoline-4,8-diamine
CID 5328034
N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}buta-2,3-dienamide
CID 5329076
N4-[2-(4-bromophenyl)ethyl]quinazoline-4,6-diamine
CID 509548
1-(2-Chloroethyl)-3-{[4-(3-bromophenyl)amino]quinazolin-6-yl}urea
CID 11611500

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-quinazolin-8-ylurea?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-quinazolin-8-ylurea (CID 11302766) is 1-[(4-bromophenyl)methyl]-3-quinazolin-8-ylurea.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-quinazolin-8-ylurea?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-quinazolin-8-ylurea is O=C(NCc1ccc(Br)cc1)Nc1cccc2cncnc12.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-quinazolin-8-ylurea?
The InChIKey is HUPXBWYDCNIXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O/c17-13-6-4-11(5-7-13)8-19-16(22)21-14-3-1-2-12-9-18-10-20-15(12)14/h1-7,9-10H,8H2,(H2,19,21,22).
What are the key properties of 1-[(4-bromophenyl)methyl]-3-quinazolin-8-ylurea?
1-[(4-bromophenyl)methyl]-3-quinazolin-8-ylurea has a molecular weight of 357.21 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-quinazolin-8-ylurea is sourced from PubChem (CID 11302766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).