2-chloro-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide

C16H12ClN3O — CID 949092

IUPAC2-chloro-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(Cl)nc3ccccc23)n1
InChIInChI=1S/C16H12ClN3O/c1-10-5-4-8-15(18-10)20-16(21)12-9-14(17)19-13-7-3-2-6-11(12)13/h2-9H,1H3,(H,18,20,21)
InChIKeyCYBPDEKRJMSSCD-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.84
Rot. Bonds2

About 2-chloro-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide

2-chloro-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide (PubChem CID 949092) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 2-chloro-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
PubChem CID949092
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name2-chloro-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(Cl)nc3ccccc23)n1
InChIInChI=1S/C16H12ClN3O/c1-10-5-4-8-15(18-10)20-16(21)12-9-14(17)19-13-7-3-2-6-11(12)13/h2-9H,1H3,(H,18,20,21)
InChIKeyCYBPDEKRJMSSCD-UHFFFAOYSA-N
XLogP3.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide (CID 949092) is 2-chloro-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide is Cc1cccc(NC(=O)c2cc(Cl)nc3ccccc23)n1.
What is the InChIKey of 2-chloro-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide?
The InChIKey is CYBPDEKRJMSSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c1-10-5-4-8-15(18-10)20-16(21)12-9-14(17)19-13-7-3-2-6-11(12)13/h2-9H,1H3,(H,18,20,21).
What are the key properties of 2-chloro-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide?
2-chloro-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide has a molecular weight of 297.75 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide is sourced from PubChem (CID 949092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).