4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide

C18H12N4O2 — CID 60555807

IUPAC4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H12N4O2/c23-17-14-6-2-1-5-13(14)16(21-22-17)18(24)20-12-7-8-15-11(10-12)4-3-9-19-15/h1-10H,(H,20,24)(H,22,23)
InChIKeyPNWJZEXKKUFQSR-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.72
Rot. Bonds2

About 4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide

4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide (PubChem CID 60555807) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide
PubChem CID60555807
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC Name4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H12N4O2/c23-17-14-6-2-1-5-13(14)16(21-22-17)18(24)20-12-7-8-15-11(10-12)4-3-9-19-15/h1-10H,(H,20,24)(H,22,23)
InChIKeyPNWJZEXKKUFQSR-UHFFFAOYSA-N
XLogP2.72
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-quinolin-7-yl-1H-indazole-3-carboxamide
CID 28734040
N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163288
N-quinolin-6-ylbenzamide
CID 833617
N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163290
N-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 79042904
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 39027087
N-(4-ethylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 756039
2-methyl-N-quinolin-6-yl-1H-indole-3-carboxamide
CID 60555892
4-oxo-N-(4-sulfamoylphenyl)-3H-phthalazine-1-carboxamide
CID 2103773
N-quinolin-6-yl-2H-benzotriazole-5-carboxamide
CID 60555981
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 4855019
N-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 60968085

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide (CID 60555807) is 4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide is O=C(Nc1ccc2ncccc2c1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide?
The InChIKey is PNWJZEXKKUFQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c23-17-14-6-2-1-5-13(14)16(21-22-17)18(24)20-12-7-8-15-11(10-12)4-3-9-19-15/h1-10H,(H,20,24)(H,22,23).
What are the key properties of 4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide?
4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 60555807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).