[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate

C26H22N2O3 — CID 7825067

IUPAC[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C26H22N2O3/c1-17-12-14-19(15-13-17)24-16-22(21-10-6-7-11-23(21)28-24)26(30)31-18(2)25(29)27-20-8-4-3-5-9-20/h3-16,18H,1-2H3,(H,27,29)/t18-/m1/s1
InChIKeyJMVFRCMRNOZYEZ-GOSISDBHSA-N
MW410.47 g/mol
LogP5.39
Rot. Bonds5

About [(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate

[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate (PubChem CID 7825067) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is [(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
PubChem CID7825067
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C26H22N2O3/c1-17-12-14-19(15-13-17)24-16-22(21-10-6-7-11-23(21)28-24)26(30)31-18(2)25(29)27-20-8-4-3-5-9-20/h3-16,18H,1-2H3,(H,27,29)/t18-/m1/s1
InChIKeyJMVFRCMRNOZYEZ-GOSISDBHSA-N
XLogP5.39
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 7866906
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 30394729
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 7395332
[(2R)-1-oxo-1-phenylpropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 1217833
[(2R)-1-anilino-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 9009541
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3-bromophenyl)quinoline-4-carboxylate
CID 2391509
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2347243
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylate
CID 4003521
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135788920
[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 23991298
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate
CID 23931100
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 16522008

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate?
The IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate (CID 7825067) is [(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for [(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate?
The canonical SMILES for [(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate is Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of [(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate?
The InChIKey is JMVFRCMRNOZYEZ-GOSISDBHSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-17-12-14-19(15-13-17)24-16-22(21-10-6-7-11-23(21)28-24)26(30)31-18(2)25(29)27-20-8-4-3-5-9-20/h3-16,18H,1-2H3,(H,27,29)/t18-/m1/s1.
What are the key properties of [(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate?
[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate has a molecular weight of 410.47 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 7825067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).