7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide

C19H16ClFN2O2 — CID 43860436

IUPAC7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccccc2F)c(=O)c2ccc(Cl)c(C)c21
InChIInChI=1S/C19H16ClFN2O2/c1-3-23-10-13(19(25)22-16-7-5-4-6-15(16)21)18(24)12-8-9-14(20)11(2)17(12)23/h4-10H,3H2,1-2H3,(H,22,25)
InChIKeyJGLRERBPYNFYSB-UHFFFAOYSA-N
MW358.80 g/mol
LogP4.37
Rot. Bonds3

About 7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide

7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 43860436) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is 7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide
PubChem CID43860436
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC Name7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccccc2F)c(=O)c2ccc(Cl)c(C)c21
InChIInChI=1S/C19H16ClFN2O2/c1-3-23-10-13(19(25)22-16-7-5-4-6-15(16)21)18(24)12-8-9-14(20)11(2)17(12)23/h4-10H,3H2,1-2H3,(H,22,25)
InChIKeyJGLRERBPYNFYSB-UHFFFAOYSA-N
XLogP4.37
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-(2-chlorophenyl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860427
N-(5-acetamido-2-chlorophenyl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860473
7-chloro-1-ethyl-8-methyl-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide
CID 43860417
1-ethyl-N-(2-fluorophenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 859264
7-chloro-1-ethyl-N-(6-fluoro-2-methylquinolin-4-yl)-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860486
7-chloro-N-(6-chloroquinolin-4-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860477
N-(3-chloro-2-methylphenyl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 43832131
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860466
7-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-1-ethyl-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860462
N-(3-chloro-2-methylphenyl)-7-methyl-4-oxo-1-propyl-1,8-naphthyridine-3-carboxamide
CID 53087125
2-chloro-N-(2-fluorophenyl)-5-methylbenzamide
CID 122630269
N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132224

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide (CID 43860436) is 7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)Nc2ccccc2F)c(=O)c2ccc(Cl)c(C)c21.
What is the InChIKey of 7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is JGLRERBPYNFYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c1-3-23-10-13(19(25)22-16-7-5-4-6-15(16)21)18(24)12-8-9-14(20)11(2)17(12)23/h4-10H,3H2,1-2H3,(H,22,25).
What are the key properties of 7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide?
7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 358.80 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-ethyl-N-(2-fluorophenyl)-8-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 43860436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).