N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide

C19H16Cl2N2O2 — CID 55758083

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(=O)n(C)c2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H16Cl2N2O2/c1-11(13-8-7-12(20)9-16(13)21)22-19(25)15-10-18(24)23(2)17-6-4-3-5-14(15)17/h3-11H,1-2H3,(H,22,25)
InChIKeyDRVWDFLULHIQRY-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.34
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide

N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 55758083) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID55758083
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(=O)n(C)c2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H16Cl2N2O2/c1-11(13-8-7-12(20)9-16(13)21)22-19(25)15-10-18(24)23(2)17-6-4-3-5-14(15)17/h3-11H,1-2H3,(H,22,25)
InChIKeyDRVWDFLULHIQRY-UHFFFAOYSA-N
XLogP4.34
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528
1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-oxoquinoline-4-carboxamide
CID 72934825
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 99927276
N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-methyl-2-oxoquinoline-4-carbohydrazide
CID 55787862
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55761547
N-[1-(2,4-dichlorophenyl)ethyl]-2-phenyl-1,8-naphthyridine-4-carboxamide
CID 140502926
N-[1-(2,4-dichlorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 17459377
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide
CID 7986626
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 9089700
N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 4876390
2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 114370055
1-acetyl-N-[1-(2-chlorophenyl)ethyl]indole-3-carboxamide
CID 175153955

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide (CID 55758083) is N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide is CC(NC(=O)c1cc(=O)n(C)c2ccccc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is DRVWDFLULHIQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-11(13-8-7-12(20)9-16(13)21)22-19(25)15-10-18(24)23(2)17-6-4-3-5-14(15)17/h3-11H,1-2H3,(H,22,25).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide?
N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 375.26 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 55758083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).