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

C25H21ClFN3O — CID 126593887

IUPAC4-(2-chlorophenyl)-N-(2-fluoroethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide
SMILESCc1cc2nc(C(=O)NCCF)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C25H21ClFN3O/c1-15-13-21-24(16(2)23(15)17-7-10-28-11-8-17)19(18-5-3-4-6-20(18)26)14-22(30-21)25(31)29-12-9-27/h3-8,10-11,13-14H,9,12H2,1-2H3,(H,29,31)
InChIKeySVANBFOWTZTUHN-UHFFFAOYSA-N
MW433.91 g/mol
LogP5.93
Rot. Bonds5

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

4-(2-chlorophenyl)-N-(2-fluoroethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide (PubChem CID 126593887) has the molecular formula C25H21ClFN3O and a molecular weight of 433.91 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-(2-fluoroethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-(2-fluoroethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide
PubChem CID126593887
Molecular FormulaC25H21ClFN3O
Molecular Weight433.91 g/mol
Exact Mass433.14
IUPAC Name4-(2-chlorophenyl)-N-(2-fluoroethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide
SMILESCc1cc2nc(C(=O)NCCF)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C25H21ClFN3O/c1-15-13-21-24(16(2)23(15)17-7-10-28-11-8-17)19(18-5-3-4-6-20(18)26)14-22(30-21)25(31)29-12-9-27/h3-8,10-11,13-14H,9,12H2,1-2H3,(H,29,31)
InChIKeySVANBFOWTZTUHN-UHFFFAOYSA-N
XLogP5.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.91
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-(2-fluoroethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-(2-fluoroethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide (CID 126593887) is 4-(2-chlorophenyl)-N-(2-fluoroethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-(2-fluoroethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-(2-fluoroethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide is Cc1cc2nc(C(=O)NCCF)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1.
What is the InChIKey of 4-(2-chlorophenyl)-N-(2-fluoroethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
The InChIKey is SVANBFOWTZTUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN3O/c1-15-13-21-24(16(2)23(15)17-7-10-28-11-8-17)19(18-5-3-4-6-20(18)26)14-22(30-21)25(31)29-12-9-27/h3-8,10-11,13-14H,9,12H2,1-2H3,(H,29,31).
What are the key properties of 4-(2-chlorophenyl)-N-(2-fluoroethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide?
4-(2-chlorophenyl)-N-(2-fluoroethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide has a molecular weight of 433.91 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-(2-fluoroethyl)-5,7-dimethyl-6-pyridin-4-ylquinoline-2-carboxamide is sourced from PubChem (CID 126593887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).