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

C20H20N2O3 — CID 123844752

IUPACN-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
SMILESCCNC(=O)c1cc2ccccc2n(Cc2ccc(OC)cc2)c1=O
InChIInChI=1S/C20H20N2O3/c1-3-21-19(23)17-12-15-6-4-5-7-18(15)22(20(17)24)13-14-8-10-16(25-2)11-9-14/h4-12H,3,13H2,1-2H3,(H,21,23)
InChIKeyLSACZHNAKBFZOA-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.81
Rot. Bonds5

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

N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide (PubChem CID 123844752) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
PubChem CID123844752
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
SMILESCCNC(=O)c1cc2ccccc2n(Cc2ccc(OC)cc2)c1=O
InChIInChI=1S/C20H20N2O3/c1-3-21-19(23)17-12-15-6-4-5-7-18(15)22(20(17)24)13-14-8-10-16(25-2)11-9-14/h4-12H,3,13H2,1-2H3,(H,21,23)
InChIKeyLSACZHNAKBFZOA-UHFFFAOYSA-N
XLogP2.81
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 142731963
methyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate
CID 142731706
1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
CID 4914630
5-amino-1-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 134146630
1-benzyl-2-oxoquinoline-3-carboxylic acid
CID 22754333
1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid
CID 142731680
N-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide
CID 50815605
1-[(4-formylphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]-2-oxoquinoline-3-carboxamide
CID 118001816
N-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide
CID 10829677
1-[(2-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620982
N-(4-chlorophenyl)-1-ethyl-2-oxoquinoline-3-carboxamide
CID 142731575
ethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate
CID 132502553

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide (CID 123844752) is N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide is CCNC(=O)c1cc2ccccc2n(Cc2ccc(OC)cc2)c1=O.
What is the InChIKey of N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide?
The InChIKey is LSACZHNAKBFZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-21-19(23)17-12-15-6-4-5-7-18(15)22(20(17)24)13-14-8-10-16(25-2)11-9-14/h4-12H,3,13H2,1-2H3,(H,21,23).
What are the key properties of N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide?
N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 123844752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).