N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C21H22ClN3O3 — CID 55673090

IUPACN-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C2CC(=O)Nc3ccccc32)cc1Cl
InChIInChI=1S/C21H22ClN3O3/c1-3-25(4-2)21(28)15-10-9-13(11-17(15)22)23-20(27)16-12-19(26)24-18-8-6-5-7-14(16)18/h5-11,16H,3-4,12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyMXFBAXBXFVQKEO-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.89
Rot. Bonds5

About N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 55673090) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID55673090
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC NameN-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C2CC(=O)Nc3ccccc32)cc1Cl
InChIInChI=1S/C21H22ClN3O3/c1-3-25(4-2)21(28)15-10-9-13(11-17(15)22)23-20(27)16-12-19(26)24-18-8-6-5-7-14(16)18/h5-11,16H,3-4,12H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyMXFBAXBXFVQKEO-UHFFFAOYSA-N
XLogP3.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-N-(4-chloro-3-cyanophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 52550109
(4S)-N-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51478917
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86874777
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
N-(1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17488439
(4S)-N-[4-(methylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 26078441
(4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51531802
4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672558
N-[3-(dimethylsulfamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42930654
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 55892603
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134006789
2-oxo-N-(3-phenoxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 75835575

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 55673090) is N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CCN(CC)C(=O)c1ccc(NC(=O)C2CC(=O)Nc3ccccc32)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is MXFBAXBXFVQKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-3-25(4-2)21(28)15-10-9-13(11-17(15)22)23-20(27)16-12-19(26)24-18-8-6-5-7-14(16)18/h5-11,16H,3-4,12H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 55673090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).