7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide

C16H12ClN3O — CID 2220966

IUPAC7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1c(Cl)ccc2c(C(N)=O)cc(-c3ccccn3)nc12
InChIInChI=1S/C16H12ClN3O/c1-9-12(17)6-5-10-11(16(18)21)8-14(20-15(9)10)13-4-2-3-7-19-13/h2-8H,1H3,(H2,18,21)
InChIKeyIPHDKASUFGOVBO-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.36
Rot. Bonds2

About 7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide

7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 2220966) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID2220966
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1c(Cl)ccc2c(C(N)=O)cc(-c3ccccn3)nc12
InChIInChI=1S/C16H12ClN3O/c1-9-12(17)6-5-10-11(16(18)21)8-14(20-15(9)10)13-4-2-3-7-19-13/h2-8H,1H3,(H2,18,21)
InChIKeyIPHDKASUFGOVBO-UHFFFAOYSA-N
XLogP3.36
TPSA68.87 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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of 7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide (CID 2220966) is 7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for 7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide is Cc1c(Cl)ccc2c(C(N)=O)cc(-c3ccccn3)nc12.
What is the InChIKey of 7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is IPHDKASUFGOVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c1-9-12(17)6-5-10-11(16(18)21)8-14(20-15(9)10)13-4-2-3-7-19-13/h2-8H,1H3,(H2,18,21).
What are the key properties of 7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide?
7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 297.75 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 2220966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).