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

C23H32N4O — CID 22421744

IUPACN-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]cyclohexanecarboxamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)C4CCCCC4)ccc3n2)CC1
InChIInChI=1S/C23H32N4O/c1-3-26-11-13-27(14-12-26)22-15-17(2)20-16-19(9-10-21(20)25-22)24-23(28)18-7-5-4-6-8-18/h9-10,15-16,18H,3-8,11-14H2,1-2H3,(H,24,28)
InChIKeyUCWFLSVKEQQBSQ-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.20
Rot. Bonds4

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

N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]cyclohexanecarboxamide (PubChem CID 22421744) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]cyclohexanecarboxamide
PubChem CID22421744
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]cyclohexanecarboxamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)C4CCCCC4)ccc3n2)CC1
InChIInChI=1S/C23H32N4O/c1-3-26-11-13-27(14-12-26)22-15-17(2)20-16-19(9-10-21(20)25-22)24-23(28)18-7-5-4-6-8-18/h9-10,15-16,18H,3-8,11-14H2,1-2H3,(H,24,28)
InChIKeyUCWFLSVKEQQBSQ-UHFFFAOYSA-N
XLogP4.20
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]cyclohexanecarboxamide (CID 22421744) is N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]cyclohexanecarboxamide is CCN1CCN(c2cc(C)c3cc(NC(=O)C4CCCCC4)ccc3n2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]cyclohexanecarboxamide?
The InChIKey is UCWFLSVKEQQBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-3-26-11-13-27(14-12-26)22-15-17(2)20-16-19(9-10-21(20)25-22)24-23(28)18-7-5-4-6-8-18/h9-10,15-16,18H,3-8,11-14H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]cyclohexanecarboxamide?
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]cyclohexanecarboxamide has a molecular weight of 380.54 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]cyclohexanecarboxamide is sourced from PubChem (CID 22421744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).