2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide

C29H36N4O — CID 22421737

IUPAC2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)C(c4ccccc4)C4CCCC4)ccc3n2)CC1
InChIInChI=1S/C29H36N4O/c1-3-32-15-17-33(18-16-32)27-19-21(2)25-20-24(13-14-26(25)31-27)30-29(34)28(23-11-7-8-12-23)22-9-5-4-6-10-22/h4-6,9-10,13-14,19-20,23,28H,3,7-8,11-12,15-18H2,1-2H3,(H,30,34)
InChIKeyXUXJPBMTZZLRHL-UHFFFAOYSA-N
MW456.63 g/mol
LogP5.60
Rot. Bonds6

About 2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide

2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide (PubChem CID 22421737) has the molecular formula C29H36N4O and a molecular weight of 456.63 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide
PubChem CID22421737
Molecular FormulaC29H36N4O
Molecular Weight456.63 g/mol
Exact Mass456.29
IUPAC Name2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)C(c4ccccc4)C4CCCC4)ccc3n2)CC1
InChIInChI=1S/C29H36N4O/c1-3-32-15-17-33(18-16-32)27-19-21(2)25-20-24(13-14-26(25)31-27)30-29(34)28(23-11-7-8-12-23)22-9-5-4-6-10-22/h4-6,9-10,13-14,19-20,23,28H,3,7-8,11-12,15-18H2,1-2H3,(H,30,34)
InChIKeyXUXJPBMTZZLRHL-UHFFFAOYSA-N
XLogP5.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364144
1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea
CID 46503358
3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364134
3-chloro-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 15987637
4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 44522357
(E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide
CID 45488246
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-4-[(3S)-3-methylpiperidin-1-yl]-4-oxobutanamide
CID 92655611
2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide
CID 4556080
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide
CID 159529853
1-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 92656169
1-[3-(4-benzylpiperidin-1-yl)propyl]-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea
CID 46247991
1-[2-[benzyl(methyl)amino]ethyl]-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea
CID 46247996

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide?
The IUPAC name of 2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide (CID 22421737) is 2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide is CCN1CCN(c2cc(C)c3cc(NC(=O)C(c4ccccc4)C4CCCC4)ccc3n2)CC1.
What is the InChIKey of 2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide?
The InChIKey is XUXJPBMTZZLRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O/c1-3-32-15-17-33(18-16-32)27-19-21(2)25-20-24(13-14-26(25)31-27)30-29(34)28(23-11-7-8-12-23)22-9-5-4-6-10-22/h4-6,9-10,13-14,19-20,23,28H,3,7-8,11-12,15-18H2,1-2H3,(H,30,34).
What are the key properties of 2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide?
2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide has a molecular weight of 456.63 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide is sourced from PubChem (CID 22421737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).