1-ethyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide

C20H20N2O4 — CID 54692913

IUPAC1-ethyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NCc2ccc(OC)cc2)c(O)c2ccccc21
InChIInChI=1S/C20H20N2O4/c1-3-22-16-7-5-4-6-15(16)18(23)17(20(22)25)19(24)21-12-13-8-10-14(26-2)11-9-13/h4-11,23H,3,12H2,1-2H3,(H,21,24)
InChIKeyDBRNSBSQSGJQQL-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.67
Rot. Bonds5

About 1-ethyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide

1-ethyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide (PubChem CID 54692913) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
PubChem CID54692913
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name1-ethyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NCc2ccc(OC)cc2)c(O)c2ccccc21
InChIInChI=1S/C20H20N2O4/c1-3-22-16-7-5-4-6-15(16)18(23)17(20(22)25)19(24)21-12-13-8-10-14(26-2)11-9-13/h4-11,23H,3,12H2,1-2H3,(H,21,24)
InChIKeyDBRNSBSQSGJQQL-UHFFFAOYSA-N
XLogP2.67
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Tasquinimod
CID 54682876
1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid phenethyl-amide
CID 54682638
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 862743
4-(((4-Methoxyphenyl)amino)methyl)quinolin-2-ol
CID 1850508
1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid 2-methoxy-benzylamide
CID 54699372
4-Hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)-1,2-dihydroquinoline-3-carboxamide
CID 54680142
4-hydroxy-N-(2-methoxyphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54687734
2-hydroxy-N-(4-methoxybenzyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 54676949
3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxo-
CID 54676680
N-benzyl-1-butyl-2-hydroxy-4-oxoquinoline-3-carboxamide
CID 54687815
N-(2-Hydroxy-6-methoxy-quinolin-3-ylmethyl)-N-p-tolyl-propionamide
CID 1091906
N-(2-Hydroxy-quinolin-3-ylmethyl)-N-(2-methoxy-phenyl)-propionamide
CID 1420298

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide (CID 54692913) is 1-ethyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide is CCn1c(=O)c(C(=O)NCc2ccc(OC)cc2)c(O)c2ccccc21.
What is the InChIKey of 1-ethyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide?
The InChIKey is DBRNSBSQSGJQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-22-16-7-5-4-6-15(16)18(23)17(20(22)25)19(24)21-12-13-8-10-14(26-2)11-9-13/h4-11,23H,3,12H2,1-2H3,(H,21,24).
What are the key properties of 1-ethyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide?
1-ethyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54692913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).