N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide

C20H19FN2O4 — CID 54732868

IUPACN-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(OC)cccc2n(C)c1=O)c1cccc(F)c1
InChIInChI=1S/C20H19FN2O4/c1-4-23(13-8-5-7-12(21)11-13)20(26)17-18(24)16-14(22(2)19(17)25)9-6-10-15(16)27-3/h5-11,24H,4H2,1-3H3
InChIKeyHNZXENODVPYEHC-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.06
Rot. Bonds4

About N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide

N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 54732868) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide
PubChem CID54732868
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC NameN-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(OC)cccc2n(C)c1=O)c1cccc(F)c1
InChIInChI=1S/C20H19FN2O4/c1-4-23(13-8-5-7-12(21)11-13)20(26)17-18(24)16-14(22(2)19(17)25)9-6-10-15(16)27-3/h5-11,24H,4H2,1-3H3
InChIKeyHNZXENODVPYEHC-UHFFFAOYSA-N
XLogP3.06
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-hydroxy-5-methoxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54684693
N-(2,4-difluorophenyl)-N-ethyl-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 70122366
N-(2,5-difluorophenyl)-4-hydroxy-5-methoxy-N,1-dimethyl-2-oxoquinoline-3-carboxamide
CID 54682588
N-ethyl-4-hydroxy-5-iodo-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 90346178
4-hydroxy-5-methoxy-N,1-dimethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 54676573
zinc N,5-diethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54717328
sodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide)
CID 159773761
5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide
CID 70122373
N-ethyl-4-hydroxy-1-methyl-5-(2-methylphenyl)-2-oxo-N-phenylquinoline-3-carboxamide
CID 67082082
N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-6-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 70199562
5-[[4-[(5-chloro-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)-ethylamino]phenyl]methoxy]-4-hydroxy-N,1-dimethyl-2-oxo-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 123388718
2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide
CID 81393771

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide (CID 54732868) is N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide is CCN(C(=O)c1c(O)c2c(OC)cccc2n(C)c1=O)c1cccc(F)c1.
What is the InChIKey of N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is HNZXENODVPYEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-4-23(13-8-5-7-12(21)11-13)20(26)17-18(24)16-14(22(2)19(17)25)9-6-10-15(16)27-3/h5-11,24H,4H2,1-3H3.
What are the key properties of N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide?
N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54732868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).