N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide

C27H28N4O2 — CID 159529853

IUPACN-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)C(=O)C4=CCc5ccccc54)ccc3n2)CC1
InChIInChI=1S/C27H28N4O2/c1-3-30-12-14-31(15-13-30)25-16-18(2)23-17-20(9-11-24(23)29-25)28-27(33)26(32)22-10-8-19-6-4-5-7-21(19)22/h4-7,9-11,16-17H,3,8,12-15H2,1-2H3,(H,28,33)
InChIKeyPMDVDKCEEDWDPZ-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.83
Rot. Bonds5

About N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide

N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide (PubChem CID 159529853) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide
PubChem CID159529853
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)C(=O)C4=CCc5ccccc54)ccc3n2)CC1
InChIInChI=1S/C27H28N4O2/c1-3-30-12-14-31(15-13-30)25-16-18(2)23-17-20(9-11-24(23)29-25)28-27(33)26(32)22-10-8-19-6-4-5-7-21(19)22/h4-7,9-11,16-17H,3,8,12-15H2,1-2H3,(H,28,33)
InChIKeyPMDVDKCEEDWDPZ-UHFFFAOYSA-N
XLogP3.83
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364144
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
2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide
CID 22421737
(E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide
CID 45488246
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea
CID 46247992
1-[2-[benzyl(methyl)amino]ethyl]-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea
CID 46247996
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(4-nitrophenyl)acetamide
CID 46504475
2-(2-chloro-6-fluorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
CID 22421740
1-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 92656169
tert-butyl N-[2-[[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]carbamothioylamino]ethyl]carbamate
CID 156719560

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide (CID 159529853) is N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide is CCN1CCN(c2cc(C)c3cc(NC(=O)C(=O)C4=CCc5ccccc54)ccc3n2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide?
The InChIKey is PMDVDKCEEDWDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-3-30-12-14-31(15-13-30)25-16-18(2)23-17-20(9-11-24(23)29-25)28-27(33)26(32)22-10-8-19-6-4-5-7-21(19)22/h4-7,9-11,16-17H,3,8,12-15H2,1-2H3,(H,28,33).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide?
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide has a molecular weight of 440.55 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(3H-inden-1-yl)-2-oxoacetamide is sourced from PubChem (CID 159529853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).