3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea

C25H32N4O2 — CID 42712976

IUPAC3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
SMILESCCCCN(C(=O)NCc1ccccc1)C(CC)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C25H32N4O2/c1-4-7-17-29(25(31)26-18-19-13-9-8-10-14-19)22(5-2)23-27-21-16-12-11-15-20(21)24(30)28(23)6-3/h8-16,22H,4-7,17-18H2,1-3H3,(H,26,31)
InChIKeyNFXGZHJNWSWQBK-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.88
Rot. Bonds9

About 3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea

3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea (PubChem CID 42712976) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea.

Molecular Properties

Compound Name3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
PubChem CID42712976
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
SMILESCCCCN(C(=O)NCc1ccccc1)C(CC)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C25H32N4O2/c1-4-7-17-29(25(31)26-18-19-13-9-8-10-14-19)22(5-2)23-27-21-16-12-11-15-20(21)24(30)28(23)6-3/h8-16,22H,4-7,17-18H2,1-3H3,(H,26,31)
InChIKeyNFXGZHJNWSWQBK-UHFFFAOYSA-N
XLogP4.88
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide
CID 42712034
1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712982
3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 42713300
3-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-hexylurea
CID 42713137
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide
CID 42712059
3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea
CID 42713772
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]pentanamide
CID 42713712
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide
CID 42713720
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-phenylmethoxy-N-propylacetamide
CID 42712071
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-4-fluoro-N-propylbenzamide
CID 42712056
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyethyl)-4-pentylbenzamide
CID 42712106
1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)urea
CID 42712646

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea?
The IUPAC name of 3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea (CID 42712976) is 3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea.
What is the SMILES notation for 3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea?
The canonical SMILES for 3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea is CCCCN(C(=O)NCc1ccccc1)C(CC)c1nc2ccccc2c(=O)n1CC.
What is the InChIKey of 3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea?
The InChIKey is NFXGZHJNWSWQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-4-7-17-29(25(31)26-18-19-13-9-8-10-14-19)22(5-2)23-27-21-16-12-11-15-20(21)24(30)28(23)6-3/h8-16,22H,4-7,17-18H2,1-3H3,(H,26,31).
What are the key properties of 3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea?
3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea has a molecular weight of 420.56 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea is sourced from PubChem (CID 42712976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).