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

C25H32N4O2 — CID 42717824

IUPAC1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea
SMILESCCCCCN(C(=O)Nc1ccccc1C)C(CC)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C25H32N4O2/c1-5-7-12-17-29(25(31)27-20-15-10-8-13-18(20)3)22(6-2)23-26-21-16-11-9-14-19(21)24(30)28(23)4/h8-11,13-16,22H,5-7,12,17H2,1-4H3,(H,27,31)
InChIKeyLENZHMGXPDTKMM-UHFFFAOYSA-N
MW420.56 g/mol
LogP5.42
Rot. Bonds8

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

1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea (PubChem CID 42717824) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea.

Molecular Properties

Compound Name1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea
PubChem CID42717824
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea
SMILESCCCCCN(C(=O)Nc1ccccc1C)C(CC)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C25H32N4O2/c1-5-7-12-17-29(25(31)27-20-15-10-8-13-18(20)3)22(6-2)23-26-21-16-11-9-14-19(21)24(30)28(23)4/h8-11,13-16,22H,5-7,12,17H2,1-4H3,(H,27,31)
InChIKeyLENZHMGXPDTKMM-UHFFFAOYSA-N
XLogP5.42
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-3-(2-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42713559
1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 42716190
3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
CID 42718560
1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)urea
CID 42712646
1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-ylurea
CID 42712560
1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea
CID 4025783
3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea
CID 42713772
N-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide
CID 42711941
1-butyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718557
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-(3-methylbutyl)-3-(2-methylphenyl)urea
CID 42717550
2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide
CID 42717679
methyl 4-[2-[1-[hexyl-[(4-methylphenyl)carbamoyl]amino]propyl]-4-oxoquinazolin-3-yl]butanoate
CID 42657801

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea?
The IUPAC name of 1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea (CID 42717824) is 1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea.
What is the SMILES notation for 1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea?
The canonical SMILES for 1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea is CCCCCN(C(=O)Nc1ccccc1C)C(CC)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of 1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea?
The InChIKey is LENZHMGXPDTKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-5-7-12-17-29(25(31)27-20-15-10-8-13-18(20)3)22(6-2)23-26-21-16-11-9-14-19(21)24(30)28(23)4/h8-11,13-16,22H,5-7,12,17H2,1-4H3,(H,27,31).
What are the key properties of 1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea?
1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea has a molecular weight of 420.56 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea is sourced from PubChem (CID 42717824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).