3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea

C30H34N4O2 — CID 42718560

IUPAC3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
SMILESCCCCCN(C(=O)Nc1ccccc1C)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C
InChIInChI=1S/C30H34N4O2/c1-5-6-13-20-33(30(36)32-25-17-10-7-14-21(25)2)23(4)28-31-26-18-11-9-16-24(26)29(35)34(28)27-19-12-8-15-22(27)3/h7-12,14-19,23H,5-6,13,20H2,1-4H3,(H,32,36)
InChIKeyLKLCTEOUEDKKSD-UHFFFAOYSA-N
MW482.63 g/mol
LogP6.79
Rot. Bonds8

About 3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea

3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea (PubChem CID 42718560) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea.

Molecular Properties

Compound Name3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
PubChem CID42718560
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
SMILESCCCCCN(C(=O)Nc1ccccc1C)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C
InChIInChI=1S/C30H34N4O2/c1-5-6-13-20-33(30(36)32-25-17-10-7-14-21(25)2)23(4)28-31-26-18-11-9-16-24(26)29(35)34(28)27-19-12-8-15-22(27)3/h7-12,14-19,23H,5-6,13,20H2,1-4H3,(H,32,36)
InChIKeyLKLCTEOUEDKKSD-UHFFFAOYSA-N
XLogP6.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea with MolForge

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Related Compounds

1-butyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718557
1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718248
1-butyl-1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)urea
CID 4007420
1-butyl-3-(3-fluorophenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 3958246
N-butyl-2-methyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718979
1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea
CID 42717824
1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 42716190
N-hexyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]furan-2-carboxamide
CID 42719014
3-tert-butyl-1-[1-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-hexylurea
CID 42720447
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea
CID 42713179
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42721421
1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 42713309

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea?
The IUPAC name of 3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea (CID 42718560) is 3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea.
What is the SMILES notation for 3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea?
The canonical SMILES for 3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea is CCCCCN(C(=O)Nc1ccccc1C)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C.
What is the InChIKey of 3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea?
The InChIKey is LKLCTEOUEDKKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-5-6-13-20-33(30(36)32-25-17-10-7-14-21(25)2)23(4)28-31-26-18-11-9-16-24(26)29(35)34(28)27-19-12-8-15-22(27)3/h7-12,14-19,23H,5-6,13,20H2,1-4H3,(H,32,36).
What are the key properties of 3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea?
3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea has a molecular weight of 482.63 g/mol, XLogP of 6.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea is sourced from PubChem (CID 42718560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).