4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline

C22H17ClN2 — CID 126593888

IUPAC4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline
SMILESCc1cc2nccc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C22H17ClN2/c1-14-13-20-22(15(2)21(14)16-7-10-24-11-8-16)18(9-12-25-20)17-5-3-4-6-19(17)23/h3-13H,1-2H3
InChIKeyYOEMJSNSTGLJSV-UHFFFAOYSA-N
MW344.85 g/mol
LogP6.23
Rot. Bonds2

About 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline

4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline (PubChem CID 126593888) has the molecular formula C22H17ClN2 and a molecular weight of 344.85 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline
PubChem CID126593888
Molecular FormulaC22H17ClN2
Molecular Weight344.85 g/mol
Exact Mass344.11
IUPAC Name4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline
SMILESCc1cc2nccc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C22H17ClN2/c1-14-13-20-22(15(2)21(14)16-7-10-24-11-8-16)18(9-12-25-20)17-5-3-4-6-19(17)23/h3-13H,1-2H3
InChIKeyYOEMJSNSTGLJSV-UHFFFAOYSA-N
XLogP6.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.85
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline?
The IUPAC name of 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline (CID 126593888) is 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline.
What is the SMILES notation for 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline?
The canonical SMILES for 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline is Cc1cc2nccc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1.
What is the InChIKey of 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline?
The InChIKey is YOEMJSNSTGLJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2/c1-14-13-20-22(15(2)21(14)16-7-10-24-11-8-16)18(9-12-25-20)17-5-3-4-6-19(17)23/h3-13H,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline?
4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline has a molecular weight of 344.85 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinoline is sourced from PubChem (CID 126593888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).