1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea

C25H29N3O2 — CID 1462480

IUPAC1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
SMILESCc1cc(C)c2cc(CN(C(=O)Nc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C25H29N3O2/c1-17-13-18(2)22-15-19(24(29)27-23(22)14-17)16-28(21-11-7-4-8-12-21)25(30)26-20-9-5-3-6-10-20/h3,5-6,9-10,13-15,21H,4,7-8,11-12,16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyRNDSUAQLFOIDDE-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.51
Rot. Bonds4

About 1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea

1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea (PubChem CID 1462480) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
PubChem CID1462480
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
SMILESCc1cc(C)c2cc(CN(C(=O)Nc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C25H29N3O2/c1-17-13-18(2)22-15-19(24(29)27-23(22)14-17)16-28(21-11-7-4-8-12-21)25(30)26-20-9-5-3-6-10-20/h3,5-6,9-10,13-15,21H,4,7-8,11-12,16H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyRNDSUAQLFOIDDE-UHFFFAOYSA-N
XLogP5.51
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea with MolForge

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Related Compounds

1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 1462484
1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[(1R)-1-phenylethyl]thiourea
CID 40603487
1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylurea
CID 3194547
1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 1430573
N-cyclopentyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxybenzamide
CID 3194019
1-cyclopentyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 652123
1-benzyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 1462525
1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 1462490
1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 1430583
3-(3-chlorophenyl)-1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 23824039
1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-ethoxypropyl)thiourea
CID 3177033
1-benzyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)thiourea
CID 1133569

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
The IUPAC name of 1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea (CID 1462480) is 1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea is Cc1cc(C)c2cc(CN(C(=O)Nc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1.
What is the InChIKey of 1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
The InChIKey is RNDSUAQLFOIDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-17-13-18(2)22-15-19(24(29)27-23(22)14-17)16-28(21-11-7-4-8-12-21)25(30)26-20-9-5-3-6-10-20/h3,5-6,9-10,13-15,21H,4,7-8,11-12,16H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea?
1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea has a molecular weight of 403.53 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea is sourced from PubChem (CID 1462480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).