ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate

C21H20N2O3 — CID 4525423

IUPACethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H20N2O3/c1-3-26-18(24)13-22-21(25)19-14(2)20(15-9-5-4-6-10-15)23-17-12-8-7-11-16(17)19/h4-12H,3,13H2,1-2H3,(H,22,25)
InChIKeyKWOIYTNPIHKSQL-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.50
Rot. Bonds5

About ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate

ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate (PubChem CID 4525423) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate
PubChem CID4525423
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Nameethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H20N2O3/c1-3-26-18(24)13-22-21(25)19-14(2)20(15-9-5-4-6-10-15)23-17-12-8-7-11-16(17)19/h4-12H,3,13H2,1-2H3,(H,22,25)
InChIKeyKWOIYTNPIHKSQL-UHFFFAOYSA-N
XLogP3.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 3639952
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
CID 4160455
N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
CID 3417174
N-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4124250
ethyl 5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1-phenylpyrazole-4-carboxylate
CID 4227534
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
CID 5197457
propyl 4-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]benzoate
CID 3482413
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
CID 4148218
[2-(2-methoxyethylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 2096489
ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate
CID 108803402

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate (CID 4525423) is ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12.
What is the InChIKey of ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate?
The InChIKey is KWOIYTNPIHKSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-3-26-18(24)13-22-21(25)19-14(2)20(15-9-5-4-6-10-15)23-17-12-8-7-11-16(17)19/h4-12H,3,13H2,1-2H3,(H,22,25).
What are the key properties of ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate?
ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate has a molecular weight of 348.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate is sourced from PubChem (CID 4525423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).