2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide

C15H11ClN4O — CID 106832238

IUPAC2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1cccnn1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C15H11ClN4O/c16-14-8-12(11-5-1-2-6-13(11)19-14)15(21)17-9-10-4-3-7-18-20-10/h1-8H,9H2,(H,17,21)
InChIKeyWVHQRDIRZOGKLN-UHFFFAOYSA-N
MW298.73 g/mol
LogP2.61
Rot. Bonds3

About 2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide

2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide (PubChem CID 106832238) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide
PubChem CID106832238
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1cccnn1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C15H11ClN4O/c16-14-8-12(11-5-1-2-6-13(11)19-14)15(21)17-9-10-4-3-7-18-20-10/h1-8H,9H2,(H,17,21)
InChIKeyWVHQRDIRZOGKLN-UHFFFAOYSA-N
XLogP2.61
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1,2-oxazol-5-ylmethyl)quinoline-4-carboxamide
CID 104600407
N-[(5-bromothiophen-2-yl)methyl]-2-chloroquinoline-4-carboxamide
CID 32776156
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-chloroquinoline-4-carboxamide
CID 55976894
2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107317154
2-phenyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 757671
2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)quinoline-4-carboxamide
CID 103825258
2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244
5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide
CID 106894546
6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106832257
2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide
CID 79099972
2-chloro-N-[(2-methylthiolan-2-yl)methyl]quinoline-4-carboxamide
CID 80524297

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide (CID 106832238) is 2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide is O=C(NCc1cccnn1)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide?
The InChIKey is WVHQRDIRZOGKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-14-8-12(11-5-1-2-6-13(11)19-14)15(21)17-9-10-4-3-7-18-20-10/h1-8H,9H2,(H,17,21).
What are the key properties of 2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide?
2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide has a molecular weight of 298.73 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 106832238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).