N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyrazine-2-carboxamide

C15H12N4O2 — CID 167999843

IUPACN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyrazine-2-carboxamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)c3cnccn3)C=CC12
InChIInChI=1S/C15H12N4O2/c1-9-6-14(20)19-12-7-10(2-3-11(9)12)18-15(21)13-8-16-4-5-17-13/h2-8,11H,1H3,(H,19,20)/b18-10+
InChIKeyYKADHQDULAXZCC-VCHYOVAHSA-N
MW280.29 g/mol
LogP1.20
Rot. Bonds1

About N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyrazine-2-carboxamide

N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyrazine-2-carboxamide (PubChem CID 167999843) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyrazine-2-carboxamide
PubChem CID167999843
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyrazine-2-carboxamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)c3cnccn3)C=CC12
InChIInChI=1S/C15H12N4O2/c1-9-6-14(20)19-12-7-10(2-3-11(9)12)18-15(21)13-8-16-4-5-17-13/h2-8,11H,1H3,(H,19,20)/b18-10+
InChIKeyYKADHQDULAXZCC-VCHYOVAHSA-N
XLogP1.20
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyrazine-2-carboxamide?
The IUPAC name of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyrazine-2-carboxamide (CID 167999843) is N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyrazine-2-carboxamide is CC1=CC(=O)NC2=C/C(=N/C(=O)c3cnccn3)C=CC12.
What is the InChIKey of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyrazine-2-carboxamide?
The InChIKey is YKADHQDULAXZCC-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-9-6-14(20)19-12-7-10(2-3-11(9)12)18-15(21)13-8-16-4-5-17-13/h2-8,11H,1H3,(H,19,20)/b18-10+.
What are the key properties of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyrazine-2-carboxamide?
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyrazine-2-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyrazine-2-carboxamide is sourced from PubChem (CID 167999843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).