[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate

C26H28N2O3 — CID 7866894

IUPAC[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
SMILESC[C@@H](OC(=O)c1cc(-c2ccccc2)nc2ccccc12)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C26H28N2O3/c1-18(25(29)28(2)20-13-7-4-8-14-20)31-26(30)22-17-24(19-11-5-3-6-12-19)27-23-16-10-9-15-21(22)23/h3,5-6,9-12,15-18,20H,4,7-8,13-14H2,1-2H3/t18-/m1/s1
InChIKeyAJDROQYYLFBRAJ-GOSISDBHSA-N
MW416.52 g/mol
LogP5.24
Rot. Bonds5

About [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate

[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate (PubChem CID 7866894) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
PubChem CID7866894
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
SMILESC[C@@H](OC(=O)c1cc(-c2ccccc2)nc2ccccc12)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C26H28N2O3/c1-18(25(29)28(2)20-13-7-4-8-14-20)31-26(30)22-17-24(19-11-5-3-6-12-19)27-23-16-10-9-15-21(22)23/h3,5-6,9-12,15-18,20H,4,7-8,13-14H2,1-2H3/t18-/m1/s1
InChIKeyAJDROQYYLFBRAJ-GOSISDBHSA-N
XLogP5.24
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate with MolForge

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Related Compounds

[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 7807519
[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate
CID 42894307
[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 7866923
N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide
CID 3554949
N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 51268285
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 7395332
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135766643
[(2R)-1-oxo-1-phenylpropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 1217833
[(1R)-1-cyanoethyl] 2-phenylquinoline-4-carboxylate
CID 7782208
[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135777679
N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 55469564
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 30394729

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate?
The IUPAC name of [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate (CID 7866894) is [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate.
What is the SMILES notation for [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate?
The canonical SMILES for [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate is C[C@@H](OC(=O)c1cc(-c2ccccc2)nc2ccccc12)C(=O)N(C)C1CCCCC1.
What is the InChIKey of [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate?
The InChIKey is AJDROQYYLFBRAJ-GOSISDBHSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-18(25(29)28(2)20-13-7-4-8-14-20)31-26(30)22-17-24(19-11-5-3-6-12-19)27-23-16-10-9-15-21(22)23/h3,5-6,9-12,15-18,20H,4,7-8,13-14H2,1-2H3/t18-/m1/s1.
What are the key properties of [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate?
[(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate has a molecular weight of 416.52 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 7866894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).