4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide

C27H34N4O — CID 44522357

IUPAC4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3n2)CC1
InChIInChI=1S/C27H34N4O/c1-6-30-13-15-31(16-14-30)25-17-19(2)23-18-22(11-12-24(23)29-25)28-26(32)20-7-9-21(10-8-20)27(3,4)5/h7-12,17-18H,6,13-16H2,1-5H3,(H,28,32)
InChIKeyCAVCTOGSRWVGJI-UHFFFAOYSA-N
MW430.60 g/mol
LogP5.23
Rot. Bonds4

About 4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide

4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide (PubChem CID 44522357) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
PubChem CID44522357
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC Name4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3n2)CC1
InChIInChI=1S/C27H34N4O/c1-6-30-13-15-31(16-14-30)25-17-19(2)23-18-22(11-12-24(23)29-25)28-26(32)20-7-9-21(10-8-20)27(3,4)5/h7-12,17-18H,6,13-16H2,1-5H3,(H,28,32)
InChIKeyCAVCTOGSRWVGJI-UHFFFAOYSA-N
XLogP5.23
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 55.23
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
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
tert-butyl N-[2-[[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]carbamothioylamino]ethyl]carbamate
CID 156719560
4-ethoxy-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]benzamide
CID 6265762
N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154737
2-cyclopentyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-phenylacetamide
CID 22421737
6-[(3-chlorobenzoyl)amino]-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50784144
4-ethoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 122174582
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]-2-(4-nitrophenyl)acetamide
CID 46504475
4-methoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 15987844
(E)-3-(2-chlorophenyl)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]prop-2-enamide
CID 45488246

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide (CID 44522357) is 4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide is CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3n2)CC1.
What is the InChIKey of 4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide?
The InChIKey is CAVCTOGSRWVGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c1-6-30-13-15-31(16-14-30)25-17-19(2)23-18-22(11-12-24(23)29-25)28-26(32)20-7-9-21(10-8-20)27(3,4)5/h7-12,17-18H,6,13-16H2,1-5H3,(H,28,32).
What are the key properties of 4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide?
4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide has a molecular weight of 430.60 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide is sourced from PubChem (CID 44522357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).