[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate

C20H24N2O3 — CID 46811541

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
SMILESCC(OC(=O)CCc1ccc2ccccc2n1)C(=O)NC1CCCC1
InChIInChI=1S/C20H24N2O3/c1-14(20(24)22-16-7-3-4-8-16)25-19(23)13-12-17-11-10-15-6-2-5-9-18(15)21-17/h2,5-6,9-11,14,16H,3-4,7-8,12-13H2,1H3,(H,22,24)
InChIKeyHUVZNMURPDEUNI-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.16
Rot. Bonds6

About [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate

[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate (PubChem CID 46811541) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
PubChem CID46811541
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
SMILESCC(OC(=O)CCc1ccc2ccccc2n1)C(=O)NC1CCCC1
InChIInChI=1S/C20H24N2O3/c1-14(20(24)22-16-7-3-4-8-16)25-19(23)13-12-17-11-10-15-6-2-5-9-18(15)21-17/h2,5-6,9-11,14,16H,3-4,7-8,12-13H2,1H3,(H,22,24)
InChIKeyHUVZNMURPDEUNI-UHFFFAOYSA-N
XLogP3.16
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-quinolin-2-ylpropanoate
CID 27765908
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 7846965
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate
CID 8860037
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
CID 55367803
[1-(3-methylanilino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
CID 46811721
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
CID 29486179
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(2-fluorophenyl)propanoate
CID 9384132
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
CID 46811609
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
CID 55368045
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 3667679
N-cyclohexyl-2-quinolin-2-ylacetamide
CID 110464171
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-1-yloxyacetate
CID 3585051

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate (CID 46811541) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate is CC(OC(=O)CCc1ccc2ccccc2n1)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate?
The InChIKey is HUVZNMURPDEUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(20(24)22-16-7-3-4-8-16)25-19(23)13-12-17-11-10-15-6-2-5-9-18(15)21-17/h2,5-6,9-11,14,16H,3-4,7-8,12-13H2,1H3,(H,22,24).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate has a molecular weight of 340.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate is sourced from PubChem (CID 46811541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).