3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea

C27H27ClN4O2 — CID 3607239

IUPAC3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N(CC)C(=O)NCc1ccccc1
InChIInChI=1S/C27H27ClN4O2/c1-3-24(31(4-2)27(34)29-18-19-10-6-5-7-11-19)25-30-23-13-9-8-12-22(23)26(33)32(25)21-16-14-20(28)15-17-21/h5-17,24H,3-4,18H2,1-2H3,(H,29,34)
InChIKeyREXJNERXRWHQFC-UHFFFAOYSA-N
MW474.99 g/mol
LogP5.72
Rot. Bonds7

About 3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea

3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea (PubChem CID 3607239) has the molecular formula C27H27ClN4O2 and a molecular weight of 474.99 g/mol. Its IUPAC name is 3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea.

Molecular Properties

Compound Name3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea
PubChem CID3607239
Molecular FormulaC27H27ClN4O2
Molecular Weight474.99 g/mol
Exact Mass474.18
IUPAC Name3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N(CC)C(=O)NCc1ccccc1
InChIInChI=1S/C27H27ClN4O2/c1-3-24(31(4-2)27(34)29-18-19-10-6-5-7-11-19)25-30-23-13-9-8-12-22(23)26(33)32(25)21-16-14-20(28)15-17-21/h5-17,24H,3-4,18H2,1-2H3,(H,29,34)
InChIKeyREXJNERXRWHQFC-UHFFFAOYSA-N
XLogP5.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.99
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea 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

1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-(2,4-difluorophenyl)-1-ethylurea
CID 42715791
2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42722668
1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-(2,6-dimethylphenyl)-1-(2-phenylethyl)urea
CID 42715795
1-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 42715818
2-[1-(benzylamino)ethyl]-3-(4-chlorophenyl)quinazolin-4-one
CID 4266946
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-ethylurea
CID 42719823
2,4-dichloro-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylbenzamide
CID 4018495
1-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-(2,6-dimethylphenyl)-1-ethylurea
CID 42721167
1-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-(3-methoxyphenyl)urea
CID 4292539
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 42715682
2-chloro-N-[1-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylacetamide
CID 42721138
N-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide
CID 4240011

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea?
The IUPAC name of 3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea (CID 3607239) is 3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea.
What is the SMILES notation for 3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea?
The canonical SMILES for 3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea is CCC(c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N(CC)C(=O)NCc1ccccc1.
What is the InChIKey of 3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea?
The InChIKey is REXJNERXRWHQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O2/c1-3-24(31(4-2)27(34)29-18-19-10-6-5-7-11-19)25-30-23-13-9-8-12-22(23)26(33)32(25)21-16-14-20(28)15-17-21/h5-17,24H,3-4,18H2,1-2H3,(H,29,34).
What are the key properties of 3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea?
3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea has a molecular weight of 474.99 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea is sourced from PubChem (CID 3607239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).