1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea

C16H14ClN3O2 — CID 30375883

IUPAC1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
SMILESO=C1CCc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2N1
InChIInChI=1S/C16H14ClN3O2/c17-11-2-4-12(5-3-11)18-16(22)19-13-6-7-14-10(9-13)1-8-15(21)20-14/h2-7,9H,1,8H2,(H,20,21)(H2,18,19,22)
InChIKeySJJFZBFBRAJEJD-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.87
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea

1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea (PubChem CID 30375883) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
PubChem CID30375883
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
SMILESO=C1CCc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2N1
InChIInChI=1S/C16H14ClN3O2/c17-11-2-4-12(5-3-11)18-16(22)19-13-6-7-14-10(9-13)1-8-15(21)20-14/h2-7,9H,1,8H2,(H,20,21)(H2,18,19,22)
InChIKeySJJFZBFBRAJEJD-UHFFFAOYSA-N
XLogP3.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110774999
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
3-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 12810798
3,5-dichloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-indole-2-carboxamide
CID 55911404
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60753916
6-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-2-carboxamide
CID 62235449
5-chloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazine-2-carboxamide
CID 103817140
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 107903528
4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 43696909
N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3647907
7-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)heptanamide
CID 43696923

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea (CID 30375883) is 1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea is O=C1CCc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2N1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea?
The InChIKey is SJJFZBFBRAJEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c17-11-2-4-12(5-3-11)18-16(22)19-13-6-7-14-10(9-13)1-8-15(21)20-14/h2-7,9H,1,8H2,(H,20,21)(H2,18,19,22).
What are the key properties of 1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea?
1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea has a molecular weight of 315.76 g/mol, XLogP of 3.87, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea is sourced from PubChem (CID 30375883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).