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

C21H24N6O — CID 5309256

IUPACN-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]pyrazine-2-carboxamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)c4cnccn4)ccc3n2)CC1
InChIInChI=1S/C21H24N6O/c1-3-26-8-10-27(11-9-26)20-12-15(2)17-13-16(4-5-18(17)25-20)24-21(28)19-14-22-6-7-23-19/h4-7,12-14H,3,8-11H2,1-2H3,(H,24,28)
InChIKeyOKBFUFJXNIYMDI-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.73
Rot. Bonds4

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

N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]pyrazine-2-carboxamide (PubChem CID 5309256) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]pyrazine-2-carboxamide
PubChem CID5309256
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]pyrazine-2-carboxamide
SMILESCCN1CCN(c2cc(C)c3cc(NC(=O)c4cnccn4)ccc3n2)CC1
InChIInChI=1S/C21H24N6O/c1-3-26-8-10-27(11-9-26)20-12-15(2)17-13-16(4-5-18(17)25-20)24-21(28)19-14-22-6-7-23-19/h4-7,12-14H,3,8-11H2,1-2H3,(H,24,28)
InChIKeyOKBFUFJXNIYMDI-UHFFFAOYSA-N
XLogP2.73
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]pyrazine-2-carboxamide (CID 5309256) is N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]pyrazine-2-carboxamide is CCN1CCN(c2cc(C)c3cc(NC(=O)c4cnccn4)ccc3n2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]pyrazine-2-carboxamide?
The InChIKey is OKBFUFJXNIYMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-3-26-8-10-27(11-9-26)20-12-15(2)17-13-16(4-5-18(17)25-20)24-21(28)19-14-22-6-7-23-19/h4-7,12-14H,3,8-11H2,1-2H3,(H,24,28).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]pyrazine-2-carboxamide?
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]pyrazine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 5309256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).