6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide

C15H12N4O3 — CID 110662606

IUPAC6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1cc2ccccc2[nH]c1=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H12N4O3/c20-13-6-5-12(18-19-13)15(22)16-8-10-7-9-3-1-2-4-11(9)17-14(10)21/h1-7H,8H2,(H,16,22)(H,17,21)(H,19,20)
InChIKeyCOUGCHQBHSEEAT-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.54
Rot. Bonds3

About 6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide (PubChem CID 110662606) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide
PubChem CID110662606
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCc1cc2ccccc2[nH]c1=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H12N4O3/c20-13-6-5-12(18-19-13)15(22)16-8-10-7-9-3-1-2-4-11(9)17-14(10)21/h1-7H,8H2,(H,16,22)(H,17,21)(H,19,20)
InChIKeyCOUGCHQBHSEEAT-UHFFFAOYSA-N
XLogP0.54
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619586
2-(4-oxo-3H-phthalazin-1-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 139017463
N-[(2-oxo-1H-quinolin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110608823
N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31251595
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794810
N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylbenzamide
CID 110324311
5-(3-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 110619594
N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110324306
6-oxo-N-[(4-phenylphenyl)methyl]-1H-pyridazine-3-carboxamide
CID 110793755
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110793666
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110744921
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide (CID 110662606) is 6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide is O=C(NCc1cc2ccccc2[nH]c1=O)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide?
The InChIKey is COUGCHQBHSEEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c20-13-6-5-12(18-19-13)15(22)16-8-10-7-9-3-1-2-4-11(9)17-14(10)21/h1-7H,8H2,(H,16,22)(H,17,21)(H,19,20).
What are the key properties of 6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110662606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).