3-cyclopentyl-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide

C21H28N2O2 — CID 3672068

IUPAC3-cyclopentyl-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
SMILESCc1ccc(C)c2[nH]c(=O)c(CCNC(=O)CCC3CCCC3)cc12
InChIInChI=1S/C21H28N2O2/c1-14-7-8-15(2)20-18(14)13-17(21(25)23-20)11-12-22-19(24)10-9-16-5-3-4-6-16/h7-8,13,16H,3-6,9-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPPGGQKBOZXZWKC-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.77
Rot. Bonds6

About 3-cyclopentyl-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide

3-cyclopentyl-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide (PubChem CID 3672068) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
PubChem CID3672068
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-cyclopentyl-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
SMILESCc1ccc(C)c2[nH]c(=O)c(CCNC(=O)CCC3CCCC3)cc12
InChIInChI=1S/C21H28N2O2/c1-14-7-8-15(2)20-18(14)13-17(21(25)23-20)11-12-22-19(24)10-9-16-5-3-4-6-16/h7-8,13,16H,3-6,9-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPPGGQKBOZXZWKC-UHFFFAOYSA-N
XLogP3.77
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
CID 5121477
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethylbenzamide
CID 3460766
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 4191562
N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
CID 110602465
N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 110602477
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide
CID 5017374
3-cyclohexyl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108541528
3-cyclohexyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 110483602
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 4989152
(Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide
CID 16814021
3-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 78779689
1-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)thiourea
CID 7136945

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide (CID 3672068) is 3-cyclopentyl-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide is Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)CCC3CCCC3)cc12.
What is the InChIKey of 3-cyclopentyl-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
The InChIKey is PPGGQKBOZXZWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-14-7-8-15(2)20-18(14)13-17(21(25)23-20)11-12-22-19(24)10-9-16-5-3-4-6-16/h7-8,13,16H,3-6,9-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-cyclopentyl-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide?
3-cyclopentyl-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide has a molecular weight of 340.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide is sourced from PubChem (CID 3672068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).