1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea

C20H22ClN3O2 — CID 30376690

IUPAC1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea
SMILESCCCCN1C(=O)CCc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C20H22ClN3O2/c1-2-3-12-24-18-10-9-17(13-14(18)4-11-19(24)25)23-20(26)22-16-7-5-15(21)6-8-16/h5-10,13H,2-4,11-12H2,1H3,(H2,22,23,26)
InChIKeyINYZABAQXSMSSR-UHFFFAOYSA-N
MW371.87 g/mol
LogP5.06
Rot. Bonds5

About 1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea

1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea (PubChem CID 30376690) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea
PubChem CID30376690
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea
SMILESCCCCN1C(=O)CCc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C20H22ClN3O2/c1-2-3-12-24-18-10-9-17(13-14(18)4-11-19(24)25)23-20(26)22-16-7-5-15(21)6-8-16/h5-10,13H,2-4,11-12H2,1H3,(H2,22,23,26)
InChIKeyINYZABAQXSMSSR-UHFFFAOYSA-N
XLogP5.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.87
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)pentanamide
CID 16926947
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,2-dimethylpropanamide
CID 16926976
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,6-difluorobenzamide
CID 16926960
1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2,4-dimethoxyphenyl)urea
CID 30376842
1-(3,4-dichlorophenyl)-3-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea
CID 30376866
2,2-dimethyl-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)propanamide
CID 16926756
3,4-dichloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzamide
CID 16926773
1-(3-ethoxypropyl)-3-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)urea
CID 91911275
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-2,4-dimethoxybenzamide
CID 16927030
1-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-3-(3-phenylpropyl)urea
CID 30376456
2-amino-N-[1-[(4-chlorophenyl)methyl]-2-oxo-3,4-dihydroquinolin-6-yl]-2-methylpentanamide
CID 119756427
1-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3-methylphenyl)urea
CID 30376245

Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea?
The IUPAC name of 1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea (CID 30376690) is 1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea is CCCCN1C(=O)CCc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc21.
What is the InChIKey of 1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea?
The InChIKey is INYZABAQXSMSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-2-3-12-24-18-10-9-17(13-14(18)4-11-19(24)25)23-20(26)22-16-7-5-15(21)6-8-16/h5-10,13H,2-4,11-12H2,1H3,(H2,22,23,26).
What are the key properties of 1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea?
1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea has a molecular weight of 371.87 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(4-chlorophenyl)urea is sourced from PubChem (CID 30376690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).