1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide

C19H17FN2O3 — CID 39850828

IUPAC1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccccc2OC)c(=O)c2cc(F)ccc21
InChIInChI=1S/C19H17FN2O3/c1-3-22-11-14(18(23)13-10-12(20)8-9-16(13)22)19(24)21-15-6-4-5-7-17(15)25-2/h4-11H,3H2,1-2H3,(H,21,24)
InChIKeyAVOGXTWSCODNKU-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.42
Rot. Bonds4

About 1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide

1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide (PubChem CID 39850828) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide
PubChem CID39850828
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccccc2OC)c(=O)c2cc(F)ccc21
InChIInChI=1S/C19H17FN2O3/c1-3-22-11-14(18(23)13-10-12(20)8-9-16(13)22)19(24)21-15-6-4-5-7-17(15)25-2/h4-11H,3H2,1-2H3,(H,21,24)
InChIKeyAVOGXTWSCODNKU-UHFFFAOYSA-N
XLogP3.42
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850934
N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39851001
N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850888
N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30133112
N-(2,4-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850917
N-(5-chloro-2-methoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30132938
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863
N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133811
1-ethyl-6-fluoro-4-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 39850819
1-ethyl-6-fluoro-N-(3-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 39851051
ethyl 4-[(1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl)amino]benzoate
CID 39850939
N-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30133022

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide (CID 39850828) is 1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)Nc2ccccc2OC)c(=O)c2cc(F)ccc21.
What is the InChIKey of 1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide?
The InChIKey is AVOGXTWSCODNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-3-22-11-14(18(23)13-10-12(20)8-9-16(13)22)19(24)21-15-6-4-5-7-17(15)25-2/h4-11H,3H2,1-2H3,(H,21,24).
What are the key properties of 1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide?
1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 39850828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).