[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

C20H19ClN2O4 — CID 18101172

IUPAC[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESCC(OC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C20H19ClN2O4/c1-12(19(25)22-11-15-4-2-3-5-16(15)21)27-20(26)14-6-8-17-13(10-14)7-9-18(24)23-17/h2-6,8,10,12H,7,9,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyITWZNGUENQPEIH-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.09
Rot. Bonds5

About [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (PubChem CID 18101172) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
PubChem CID18101172
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESCC(OC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C20H19ClN2O4/c1-12(19(25)22-11-15-4-2-3-5-16(15)21)27-20(26)14-6-8-17-13(10-14)7-9-18(24)23-17/h2-6,8,10,12H,7,9,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyITWZNGUENQPEIH-UHFFFAOYSA-N
XLogP3.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate with MolForge

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Related Compounds

[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-iodobenzoate
CID 55417735
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 46630031
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromobenzoate
CID 46618829
N-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 172894844
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 40726871
[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 46646312
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 46517207
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101183
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 55416590
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18292999
[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] thiophene-3-carboxylate
CID 9383453

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The IUPAC name of [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (CID 18101172) is [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.
What is the SMILES notation for [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The canonical SMILES for [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is CC(OC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)NCc1ccccc1Cl.
What is the InChIKey of [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The InChIKey is ITWZNGUENQPEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-12(19(25)22-11-15-4-2-3-5-16(15)21)27-20(26)14-6-8-17-13(10-14)7-9-18(24)23-17/h2-6,8,10,12H,7,9,11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate has a molecular weight of 386.84 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is sourced from PubChem (CID 18101172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).