3-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-hexylurea

C26H40N4O2 — CID 42713137

IUPAC3-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-hexylurea
SMILESCCCCCCN(C(=O)NC1CCCCC1)C(CC)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C26H40N4O2/c1-4-7-8-14-19-30(26(32)27-20-15-10-9-11-16-20)23(5-2)24-28-22-18-13-12-17-21(22)25(31)29(24)6-3/h12-13,17-18,20,23H,4-11,14-16,19H2,1-3H3,(H,27,32)
InChIKeyHHSXXGCPTLTIST-UHFFFAOYSA-N
MW440.63 g/mol
LogP5.79
Rot. Bonds10

About 3-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-hexylurea

3-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-hexylurea (PubChem CID 42713137) has the molecular formula C26H40N4O2 and a molecular weight of 440.63 g/mol. Its IUPAC name is 3-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-hexylurea.

Molecular Properties

Compound Name3-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-hexylurea
PubChem CID42713137
Molecular FormulaC26H40N4O2
Molecular Weight440.63 g/mol
Exact Mass440.32
IUPAC Name3-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-hexylurea
SMILESCCCCCCN(C(=O)NC1CCCCC1)C(CC)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C26H40N4O2/c1-4-7-8-14-19-30(26(32)27-20-15-10-9-11-16-20)23(5-2)24-28-22-18-13-12-17-21(22)25(31)29(24)6-3/h12-13,17-18,20,23H,4-11,14-16,19H2,1-3H3,(H,27,32)
InChIKeyHHSXXGCPTLTIST-UHFFFAOYSA-N
XLogP5.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 55.79
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

3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712976
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 42716458
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclohexyl-1-propylurea
CID 5226088
N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide
CID 42712034
3-cyclohexyl-1-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
CID 42718302
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide
CID 42712059
1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712982
1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea
CID 42717824
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide
CID 42713720
1-hexyl-3-(2-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42713559
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-pentylhexanamide
CID 42716783
3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea
CID 42713772

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-hexylurea?
The IUPAC name of 3-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-hexylurea (CID 42713137) is 3-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-hexylurea.
What is the SMILES notation for 3-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-hexylurea?
The canonical SMILES for 3-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-hexylurea is CCCCCCN(C(=O)NC1CCCCC1)C(CC)c1nc2ccccc2c(=O)n1CC.
What is the InChIKey of 3-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-hexylurea?
The InChIKey is HHSXXGCPTLTIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O2/c1-4-7-8-14-19-30(26(32)27-20-15-10-9-11-16-20)23(5-2)24-28-22-18-13-12-17-21(22)25(31)29(24)6-3/h12-13,17-18,20,23H,4-11,14-16,19H2,1-3H3,(H,27,32).
What are the key properties of 3-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-hexylurea?
3-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-hexylurea has a molecular weight of 440.63 g/mol, XLogP of 5.79, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-hexylurea is sourced from PubChem (CID 42713137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).