[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate

C23H22N2O4 — CID 7132372

IUPAC[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate
SMILESCOc1ccc2nc(-c3ccccc3)cc(C(=O)O[C@@H](C)C(=O)NC3CC3)c2c1
InChIInChI=1S/C23H22N2O4/c1-14(22(26)24-16-8-9-16)29-23(27)19-13-21(15-6-4-3-5-7-15)25-20-11-10-17(28-2)12-18(19)20/h3-7,10-14,16H,8-9H2,1-2H3,(H,24,26)/t14-/m0/s1
InChIKeyBWOFGAYUBJBHQQ-AWEZNQCLSA-N
MW390.44 g/mol
LogP3.73
Rot. Bonds6

About [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate (PubChem CID 7132372) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate
PubChem CID7132372
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate
SMILESCOc1ccc2nc(-c3ccccc3)cc(C(=O)O[C@@H](C)C(=O)NC3CC3)c2c1
InChIInChI=1S/C23H22N2O4/c1-14(22(26)24-16-8-9-16)29-23(27)19-13-21(15-6-4-3-5-7-15)25-20-11-10-17(28-2)12-18(19)20/h3-7,10-14,16H,8-9H2,1-2H3,(H,24,26)/t14-/m0/s1
InChIKeyBWOFGAYUBJBHQQ-AWEZNQCLSA-N
XLogP3.73
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate with MolForge

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Related Compounds

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 7395332
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 7395361
[(3S)-2-oxooxolan-3-yl] 6-methoxy-2-phenylquinoline-4-carboxylate
CID 7132382
[1-(cyclopropylamino)-1-oxopropan-2-yl] 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46698171
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 7487392
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 7887835
[1-(cyclopropylamino)-1-oxopropan-2-yl] 1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 42895584
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 6-methoxy-2-phenylquinoline-4-carboxylate
CID 7132339
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 40796256
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7507003
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 7765896
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 7765895

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate?
The IUPAC name of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate (CID 7132372) is [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate.
What is the SMILES notation for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate?
The canonical SMILES for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate is COc1ccc2nc(-c3ccccc3)cc(C(=O)O[C@@H](C)C(=O)NC3CC3)c2c1.
What is the InChIKey of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate?
The InChIKey is BWOFGAYUBJBHQQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-14(22(26)24-16-8-9-16)29-23(27)19-13-21(15-6-4-3-5-7-15)25-20-11-10-17(28-2)12-18(19)20/h3-7,10-14,16H,8-9H2,1-2H3,(H,24,26)/t14-/m0/s1.
What are the key properties of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate?
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 6-methoxy-2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 7132372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).