N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyrazine-2-carboxamide

C26H26N4O2 — CID 1453739

IUPACN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyrazine-2-carboxamide
SMILESCc1ccccc1CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)c1cnccn1
InChIInChI=1S/C26H26N4O2/c1-17-8-9-21-14-22(25(31)29-24(21)19(17)3)16-30(26(32)23-15-27-11-12-28-23)13-10-20-7-5-4-6-18(20)2/h4-9,11-12,14-15H,10,13,16H2,1-3H3,(H,29,31)
InChIKeyGNJFNNPQQWBYAW-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.13
Rot. Bonds6

About N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyrazine-2-carboxamide

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 1453739) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyrazine-2-carboxamide
PubChem CID1453739
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyrazine-2-carboxamide
SMILESCc1ccccc1CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)c1cnccn1
InChIInChI=1S/C26H26N4O2/c1-17-8-9-21-14-22(25(31)29-24(21)19(17)3)16-30(26(32)23-15-27-11-12-28-23)13-10-20-7-5-4-6-18(20)2/h4-9,11-12,14-15H,10,13,16H2,1-3H3,(H,29,31)
InChIKeyGNJFNNPQQWBYAW-UHFFFAOYSA-N
XLogP4.13
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyrazine-2-carboxamide (CID 1453739) is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyrazine-2-carboxamide is Cc1ccccc1CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)c1cnccn1.
What is the InChIKey of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is GNJFNNPQQWBYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-17-8-9-21-14-22(25(31)29-24(21)19(17)3)16-30(26(32)23-15-27-11-12-28-23)13-10-20-7-5-4-6-18(20)2/h4-9,11-12,14-15H,10,13,16H2,1-3H3,(H,29,31).
What are the key properties of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyrazine-2-carboxamide?
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 1453739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).