(2-amino-2-oxoethyl) 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate

C19H15ClN2O3 — CID 2380079

IUPAC(2-amino-2-oxoethyl) 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
SMILESCc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(N)=O
InChIInChI=1S/C19H15ClN2O3/c1-11-17(19(24)25-10-16(21)23)14-7-2-3-8-15(14)22-18(11)12-5-4-6-13(20)9-12/h2-9H,10H2,1H3,(H2,21,23)
InChIKeyVYGMJVRINSYMQE-UHFFFAOYSA-N
MW354.79 g/mol
LogP3.51
Rot. Bonds4

About (2-amino-2-oxoethyl) 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate

(2-amino-2-oxoethyl) 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate (PubChem CID 2380079) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
PubChem CID2380079
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name(2-amino-2-oxoethyl) 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
SMILESCc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(N)=O
InChIInChI=1S/C19H15ClN2O3/c1-11-17(19(24)25-10-16(21)23)14-7-2-3-8-15(14)22-18(11)12-5-4-6-13(20)9-12/h2-9H,10H2,1H3,(H2,21,23)
InChIKeyVYGMJVRINSYMQE-UHFFFAOYSA-N
XLogP3.51
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(diethylamino)-2-oxoethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 2580492
[2-(benzhydrylamino)-2-oxoethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 2366069
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 2580488
1H-benzimidazol-2-ylmethyl 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 2453853
2-(2-fluorophenoxy)ethyl 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 2410604
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 97066000
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 23821055
[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 2513154
ethyl 2-[benzyl-[2-[2-(3-chlorophenyl)-3-methylquinoline-4-carbonyl]oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4838128
[(3R)-2-oxooxolan-3-yl] 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate
CID 2580520
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 16532315
[2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 2243963

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate (CID 2380079) is (2-amino-2-oxoethyl) 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate is Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(N)=O.
What is the InChIKey of (2-amino-2-oxoethyl) 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate?
The InChIKey is VYGMJVRINSYMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-11-17(19(24)25-10-16(21)23)14-7-2-3-8-15(14)22-18(11)12-5-4-6-13(20)9-12/h2-9H,10H2,1H3,(H2,21,23).
What are the key properties of (2-amino-2-oxoethyl) 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate?
(2-amino-2-oxoethyl) 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate has a molecular weight of 354.79 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-(3-chlorophenyl)-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 2380079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).