N-[(4-oxo-3H-phthalazin-1-yl)methyl]quinoline-2-carboxamide

C19H14N4O2 — CID 121048410

IUPACN-[(4-oxo-3H-phthalazin-1-yl)methyl]quinoline-2-carboxamide
SMILESO=C(NCc1n[nH]c(=O)c2ccccc12)c1ccc2ccccc2n1
InChIInChI=1S/C19H14N4O2/c24-18-14-7-3-2-6-13(14)17(22-23-18)11-20-19(25)16-10-9-12-5-1-4-8-15(12)21-16/h1-10H,11H2,(H,20,25)(H,23,24)
InChIKeyJMIYOAOIPWGIKZ-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.40
Rot. Bonds3

About N-[(4-oxo-3H-phthalazin-1-yl)methyl]quinoline-2-carboxamide

N-[(4-oxo-3H-phthalazin-1-yl)methyl]quinoline-2-carboxamide (PubChem CID 121048410) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[(4-oxo-3H-phthalazin-1-yl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(4-oxo-3H-phthalazin-1-yl)methyl]quinoline-2-carboxamide
PubChem CID121048410
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC NameN-[(4-oxo-3H-phthalazin-1-yl)methyl]quinoline-2-carboxamide
SMILESO=C(NCc1n[nH]c(=O)c2ccccc12)c1ccc2ccccc2n1
InChIInChI=1S/C19H14N4O2/c24-18-14-7-3-2-6-13(14)17(22-23-18)11-20-19(25)16-10-9-12-5-1-4-8-15(12)21-16/h1-10H,11H2,(H,20,25)(H,23,24)
InChIKeyJMIYOAOIPWGIKZ-UHFFFAOYSA-N
XLogP2.40
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185897
3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185876
N-[[4-(hydroxymethyl)phenyl]methyl]quinoline-2-carboxamide
CID 68840052
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 644419
N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide
CID 6852112
N-[(4-oxo-3H-phthalazin-1-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 18583495
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)oxamide
CID 18567098
(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 7626374
2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734356
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-phthalazin-1-yl)methyl]quinoline-2-carboxamide?
The IUPAC name of N-[(4-oxo-3H-phthalazin-1-yl)methyl]quinoline-2-carboxamide (CID 121048410) is N-[(4-oxo-3H-phthalazin-1-yl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(4-oxo-3H-phthalazin-1-yl)methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(4-oxo-3H-phthalazin-1-yl)methyl]quinoline-2-carboxamide is O=C(NCc1n[nH]c(=O)c2ccccc12)c1ccc2ccccc2n1.
What is the InChIKey of N-[(4-oxo-3H-phthalazin-1-yl)methyl]quinoline-2-carboxamide?
The InChIKey is JMIYOAOIPWGIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c24-18-14-7-3-2-6-13(14)17(22-23-18)11-20-19(25)16-10-9-12-5-1-4-8-15(12)21-16/h1-10H,11H2,(H,20,25)(H,23,24).
What are the key properties of N-[(4-oxo-3H-phthalazin-1-yl)methyl]quinoline-2-carboxamide?
N-[(4-oxo-3H-phthalazin-1-yl)methyl]quinoline-2-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3H-phthalazin-1-yl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 121048410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).