N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide

C19H16F2N2O3 — CID 30133112

IUPACN-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(F)ccc2F)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C19H16F2N2O3/c1-3-23-10-14(18(24)13-9-12(26-2)5-7-17(13)23)19(25)22-16-8-11(20)4-6-15(16)21/h4-10H,3H2,1-2H3,(H,22,25)
InChIKeyYWJBVIOBLHUWCQ-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.56
Rot. Bonds4

About N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide

N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide (PubChem CID 30133112) has the molecular formula C19H16F2N2O3 and a molecular weight of 358.34 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
PubChem CID30133112
Molecular FormulaC19H16F2N2O3
Molecular Weight358.34 g/mol
Exact Mass358.11
IUPAC NameN-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2cc(F)ccc2F)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C19H16F2N2O3/c1-3-23-10-14(18(24)13-9-12(26-2)5-7-17(13)23)19(25)22-16-8-11(20)4-6-15(16)21/h4-10H,3H2,1-2H3,(H,22,25)
InChIKeyYWJBVIOBLHUWCQ-UHFFFAOYSA-N
XLogP3.56
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.56
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-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133811
N-(5-chloro-2-methoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30132938
1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide
CID 39850828
N-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30133022
1-ethyl-6-methoxy-N-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132802
1-ethyl-6-methoxy-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 30132855
N-(2,4-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850917
N-(3-acetylphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 42582572
N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850888
1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 27260830

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide (CID 30133112) is N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)Nc2cc(F)ccc2F)c(=O)c2cc(OC)ccc21.
What is the InChIKey of N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide?
The InChIKey is YWJBVIOBLHUWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3/c1-3-23-10-14(18(24)13-9-12(26-2)5-7-17(13)23)19(25)22-16-8-11(20)4-6-15(16)21/h4-10H,3H2,1-2H3,(H,22,25).
What are the key properties of N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide?
N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide has a molecular weight of 358.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 30133112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).