1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)urea

C23H24ClN3O — CID 1467828

IUPAC1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)urea
SMILESCc1cc(C)c2nc(Cl)c(CN(C(=O)Nc3ccccc3C)C3CC3)cc2c1
InChIInChI=1S/C23H24ClN3O/c1-14-10-16(3)21-17(11-14)12-18(22(24)26-21)13-27(19-8-9-19)23(28)25-20-7-5-4-6-15(20)2/h4-7,10-12,19H,8-9,13H2,1-3H3,(H,25,28)
InChIKeyJETIDXYBWRIWOX-UHFFFAOYSA-N
MW393.92 g/mol
LogP6.01
Rot. Bonds4

About 1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)urea

1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)urea (PubChem CID 1467828) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is 1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)urea
PubChem CID1467828
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)urea
SMILESCc1cc(C)c2nc(Cl)c(CN(C(=O)Nc3ccccc3C)C3CC3)cc2c1
InChIInChI=1S/C23H24ClN3O/c1-14-10-16(3)21-17(11-14)12-18(22(24)26-21)13-27(19-8-9-19)23(28)25-20-7-5-4-6-15(20)2/h4-7,10-12,19H,8-9,13H2,1-3H3,(H,25,28)
InChIKeyJETIDXYBWRIWOX-UHFFFAOYSA-N
XLogP6.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.92
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclohexyl-3-(2-methylphenyl)urea
CID 3215116
1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)urea
CID 3216920
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylbenzamide
CID 3215123
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclopentylacetamide
CID 1459902
1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)thiourea
CID 6498869
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-cyclohexylcyclobutanecarboxamide
CID 3215121
N-benzyl-N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]cyclopropanecarboxamide
CID 3215107
1-cyclopentyl-3-(2-methylphenyl)-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea
CID 1466341
3-(2-chlorophenyl)-1-cyclopropyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1457667
2-(2-chloro-6,8-dimethylquinolin-3-yl)acetic acid
CID 84633593
1-benzyl-1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-3,3-dimethylurea
CID 23913689
3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449416

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)urea?
The IUPAC name of 1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)urea (CID 1467828) is 1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)urea is Cc1cc(C)c2nc(Cl)c(CN(C(=O)Nc3ccccc3C)C3CC3)cc2c1.
What is the InChIKey of 1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)urea?
The InChIKey is JETIDXYBWRIWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-14-10-16(3)21-17(11-14)12-18(22(24)26-21)13-27(19-8-9-19)23(28)25-20-7-5-4-6-15(20)2/h4-7,10-12,19H,8-9,13H2,1-3H3,(H,25,28).
What are the key properties of 1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)urea?
1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)urea has a molecular weight of 393.92 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-1-cyclopropyl-3-(2-methylphenyl)urea is sourced from PubChem (CID 1467828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).