[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate

C24H22N2O4 — CID 8944498

IUPAC[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate
SMILESCC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C24H22N2O4/c1-14(27)17-7-3-5-9-20(17)26-23(28)15(2)30-24(29)19-13-22(16-11-12-16)25-21-10-6-4-8-18(19)21/h3-10,13,15-16H,11-12H2,1-2H3,(H,26,28)/t15-/m1/s1
InChIKeyGCZFGFFYQJTZTE-OAHLLOKOSA-N
MW402.45 g/mol
LogP4.50
Rot. Bonds6

About [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate

[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate (PubChem CID 8944498) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate
PubChem CID8944498
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate
SMILESCC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C24H22N2O4/c1-14(27)17-7-3-5-9-20(17)26-23(28)15(2)30-24(29)19-13-22(16-11-12-16)25-21-10-6-4-8-18(19)21/h3-10,13,15-16H,11-12H2,1-2H3,(H,26,28)/t15-/m1/s1
InChIKeyGCZFGFFYQJTZTE-OAHLLOKOSA-N
XLogP4.50
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate with MolForge

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Related Compounds

[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate
CID 8944406
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate
CID 8944516
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 8739128
[1-oxo-1-(2-phenylanilino)propan-2-yl] 6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43024349
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-methylquinoline-4-carboxylate
CID 7351467
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate
CID 8735820
[(2R)-1-anilino-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 9009541
[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 7825067
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate
CID 8565614
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 7395332
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 9009589
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-pyridin-2-ylquinoline-4-carboxylate
CID 23931100

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate?
The IUPAC name of [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate (CID 8944498) is [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate.
What is the SMILES notation for [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate?
The canonical SMILES for [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate is CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate?
The InChIKey is GCZFGFFYQJTZTE-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-14(27)17-7-3-5-9-20(17)26-23(28)15(2)30-24(29)19-13-22(16-11-12-16)25-21-10-6-4-8-18(19)21/h3-10,13,15-16H,11-12H2,1-2H3,(H,26,28)/t15-/m1/s1.
What are the key properties of [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate?
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate has a molecular weight of 402.45 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-cyclopropylquinoline-4-carboxylate is sourced from PubChem (CID 8944498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).