6-chloro-2-pyridin-4-ylquinoline-4-carboxamide

C15H10ClN3O — CID 2220933

IUPAC6-chloro-2-pyridin-4-ylquinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2ccncc2)nc2ccc(Cl)cc12
InChIInChI=1S/C15H10ClN3O/c16-10-1-2-13-11(7-10)12(15(17)20)8-14(19-13)9-3-5-18-6-4-9/h1-8H,(H2,17,20)
InChIKeyOTQVBJOLKDGCBI-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.05
Rot. Bonds2

About 6-chloro-2-pyridin-4-ylquinoline-4-carboxamide

6-chloro-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 2220933) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 6-chloro-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID2220933
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name6-chloro-2-pyridin-4-ylquinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2ccncc2)nc2ccc(Cl)cc12
InChIInChI=1S/C15H10ClN3O/c16-10-1-2-13-11(7-10)12(15(17)20)8-14(19-13)9-3-5-18-6-4-9/h1-8H,(H2,17,20)
InChIKeyOTQVBJOLKDGCBI-UHFFFAOYSA-N
XLogP3.05
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of 6-chloro-2-pyridin-4-ylquinoline-4-carboxamide (CID 2220933) is 6-chloro-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-pyridin-4-ylquinoline-4-carboxamide is NC(=O)c1cc(-c2ccncc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is OTQVBJOLKDGCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c16-10-1-2-13-11(7-10)12(15(17)20)8-14(19-13)9-3-5-18-6-4-9/h1-8H,(H2,17,20).
What are the key properties of 6-chloro-2-pyridin-4-ylquinoline-4-carboxamide?
6-chloro-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 283.72 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 2220933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).