3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide

C15H9Cl2N3O — CID 66464804

IUPAC3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c2cccnc12)c1ccncc1Cl
InChIInChI=1S/C15H9Cl2N3O/c16-11-3-4-13(14-9(11)2-1-6-19-14)20-15(21)10-5-7-18-8-12(10)17/h1-8H,(H,20,21)
InChIKeyCOQMIKZCIOXZGK-UHFFFAOYSA-N
MW318.16 g/mol
LogP4.19
Rot. Bonds2

About 3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide

3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide (PubChem CID 66464804) has the molecular formula C15H9Cl2N3O and a molecular weight of 318.16 g/mol. Its IUPAC name is 3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide
PubChem CID66464804
Molecular FormulaC15H9Cl2N3O
Molecular Weight318.16 g/mol
Exact Mass317.01
IUPAC Name3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c2cccnc12)c1ccncc1Cl
InChIInChI=1S/C15H9Cl2N3O/c16-11-3-4-13(14-9(11)2-1-6-19-14)20-15(21)10-5-7-18-8-12(10)17/h1-8H,(H,20,21)
InChIKeyCOQMIKZCIOXZGK-UHFFFAOYSA-N
XLogP4.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-carboxamide
CID 104625471
6-chloro-N-(5-chloroquinolin-8-yl)pyridazine-3-carboxamide
CID 61041185
3-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-4-carboxamide
CID 66482742
3-chloro-N-(2-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 66484881
3-chloro-N-(2-hydroxyphenyl)pyridine-4-carboxamide
CID 103715642
N-(5-chloroquinolin-8-yl)-3-hydroxybenzamide
CID 115577672
3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide
CID 64525415
4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide
CID 78915812
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
3-chloro-N-(2-methylquinolin-8-yl)pyridine-4-carboxamide
CID 66482984
benzyl N-(5-chloroquinolin-8-yl)carbamate
CID 130156860
3-chloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 66462437

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide (CID 66464804) is 3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide is O=C(Nc1ccc(Cl)c2cccnc12)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide?
The InChIKey is COQMIKZCIOXZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O/c16-11-3-4-13(14-9(11)2-1-6-19-14)20-15(21)10-5-7-18-8-12(10)17/h1-8H,(H,20,21).
What are the key properties of 3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide?
3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide has a molecular weight of 318.16 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide is sourced from PubChem (CID 66464804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).