2,3-dichloro-6-methyl-5-quinolin-6-ylpyridine-4-carboxamide

C16H11Cl2N3O — CID 121470633

IUPAC2,3-dichloro-6-methyl-5-quinolin-6-ylpyridine-4-carboxamide
SMILESCc1nc(Cl)c(Cl)c(C(N)=O)c1-c1ccc2ncccc2c1
InChIInChI=1S/C16H11Cl2N3O/c1-8-12(13(16(19)22)14(17)15(18)21-8)10-4-5-11-9(7-10)3-2-6-20-11/h2-7H,1H3,(H2,19,22)
InChIKeySEGNXQKWKYSPTH-UHFFFAOYSA-N
MW332.19 g/mol
LogP4.01
Rot. Bonds2

About 2,3-dichloro-6-methyl-5-quinolin-6-ylpyridine-4-carboxamide

2,3-dichloro-6-methyl-5-quinolin-6-ylpyridine-4-carboxamide (PubChem CID 121470633) has the molecular formula C16H11Cl2N3O and a molecular weight of 332.19 g/mol. Its IUPAC name is 2,3-dichloro-6-methyl-5-quinolin-6-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-dichloro-6-methyl-5-quinolin-6-ylpyridine-4-carboxamide
PubChem CID121470633
Molecular FormulaC16H11Cl2N3O
Molecular Weight332.19 g/mol
Exact Mass331.03
IUPAC Name2,3-dichloro-6-methyl-5-quinolin-6-ylpyridine-4-carboxamide
SMILESCc1nc(Cl)c(Cl)c(C(N)=O)c1-c1ccc2ncccc2c1
InChIInChI=1S/C16H11Cl2N3O/c1-8-12(13(16(19)22)14(17)15(18)21-8)10-4-5-11-9(7-10)3-2-6-20-11/h2-7H,1H3,(H2,19,22)
InChIKeySEGNXQKWKYSPTH-UHFFFAOYSA-N
XLogP4.01
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 54.01
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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Related Compounds

6-methylquinoline-7-carboxamide
CID 142343744
6-(3-methylphenyl)quinoline
CID 4185278
6-(6-chloropyridazin-3-yl)quinoline
CID 81221489
1-chloro-4-quinolin-6-ylphthalazine
CID 81230738
2-methyl-2-(5-quinolin-6-yltetrazol-1-yl)propanoic acid
CID 66040593
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone
CID 115790583
1-(2-chloro-4-quinolin-6-ylphenyl)ethanamine
CID 82781912
6-methylquinoline
CID 7059
6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazoline-2-carboxamide
CID 175898277
2-chloro-7-quinolin-6-ylquinoline
CID 176598696
6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline
CID 63611491

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-6-methyl-5-quinolin-6-ylpyridine-4-carboxamide?
The IUPAC name of 2,3-dichloro-6-methyl-5-quinolin-6-ylpyridine-4-carboxamide (CID 121470633) is 2,3-dichloro-6-methyl-5-quinolin-6-ylpyridine-4-carboxamide.
What is the SMILES notation for 2,3-dichloro-6-methyl-5-quinolin-6-ylpyridine-4-carboxamide?
The canonical SMILES for 2,3-dichloro-6-methyl-5-quinolin-6-ylpyridine-4-carboxamide is Cc1nc(Cl)c(Cl)c(C(N)=O)c1-c1ccc2ncccc2c1.
What is the InChIKey of 2,3-dichloro-6-methyl-5-quinolin-6-ylpyridine-4-carboxamide?
The InChIKey is SEGNXQKWKYSPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O/c1-8-12(13(16(19)22)14(17)15(18)21-8)10-4-5-11-9(7-10)3-2-6-20-11/h2-7H,1H3,(H2,19,22).
What are the key properties of 2,3-dichloro-6-methyl-5-quinolin-6-ylpyridine-4-carboxamide?
2,3-dichloro-6-methyl-5-quinolin-6-ylpyridine-4-carboxamide has a molecular weight of 332.19 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-6-methyl-5-quinolin-6-ylpyridine-4-carboxamide is sourced from PubChem (CID 121470633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).