6-oxo-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]-1H-pyridazine-3-carboxamide

C15H14N4O3 — CID 110743718

IUPAC6-oxo-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCC1CNC(=O)c2ccccc21)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H14N4O3/c20-13-6-5-12(18-19-13)15(22)17-8-9-7-16-14(21)11-4-2-1-3-10(9)11/h1-6,9H,7-8H2,(H,16,21)(H,17,22)(H,19,20)
InChIKeyQBMPXTYWXKBEJP-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.03
Rot. Bonds3

About 6-oxo-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]-1H-pyridazine-3-carboxamide (PubChem CID 110743718) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 6-oxo-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]-1H-pyridazine-3-carboxamide
PubChem CID110743718
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name6-oxo-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCC1CNC(=O)c2ccccc21)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H14N4O3/c20-13-6-5-12(18-19-13)15(22)17-8-9-7-16-14(21)11-4-2-1-3-10(9)11/h1-6,9H,7-8H2,(H,16,21)(H,17,22)(H,19,20)
InChIKeyQBMPXTYWXKBEJP-UHFFFAOYSA-N
XLogP0.03
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-oxo-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

4-fluoro-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]benzamide
CID 110723222
N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]thiophene-2-carboxamide
CID 110723215
2-methyl-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide
CID 110723204
1-benzyl-3-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]urea
CID 110748196
ethyl N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]carbamate
CID 110723255
3-acetamido-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]benzamide
CID 110743725
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106121318
6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide
CID 103805411
2-(3-methoxyphenyl)-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]acetamide
CID 110723281
3-(2-fluorophenyl)-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]propanamide
CID 110723272
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 37298431
6-oxo-N-(piperidin-2-ylmethyl)-1H-pyridazine-3-carboxamide
CID 103805977

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]-1H-pyridazine-3-carboxamide (CID 110743718) is 6-oxo-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]-1H-pyridazine-3-carboxamide is O=C(NCC1CNC(=O)c2ccccc21)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]-1H-pyridazine-3-carboxamide?
The InChIKey is QBMPXTYWXKBEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-13-6-5-12(18-19-13)15(22)17-8-9-7-16-14(21)11-4-2-1-3-10(9)11/h1-6,9H,7-8H2,(H,16,21)(H,17,22)(H,19,20).
What are the key properties of 6-oxo-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]-1H-pyridazine-3-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(1-oxo-3,4-dihydro-2H-isoquinolin-4-yl)methyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110743718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).