N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide

C24H20FN3O — CID 1261661

IUPACN-[2-(4-fluorophenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccncc3)cc(C(=O)NCCc3ccc(F)cc3)c2c1
InChIInChI=1S/C24H20FN3O/c1-16-2-7-22-20(14-16)21(15-23(28-22)18-9-11-26-12-10-18)24(29)27-13-8-17-3-5-19(25)6-4-17/h2-7,9-12,14-15H,8,13H2,1H3,(H,27,29)
InChIKeyQLCWGMZXIKYQFR-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.72
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide

N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 1261661) has the molecular formula C24H20FN3O and a molecular weight of 385.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID1261661
Molecular FormulaC24H20FN3O
Molecular Weight385.44 g/mol
Exact Mass385.16
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccncc3)cc(C(=O)NCCc3ccc(F)cc3)c2c1
InChIInChI=1S/C24H20FN3O/c1-16-2-7-22-20(14-16)21(15-23(28-22)18-9-11-26-12-10-18)24(29)27-13-8-17-3-5-19(25)6-4-17/h2-7,9-12,14-15H,8,13H2,1H3,(H,27,29)
InChIKeyQLCWGMZXIKYQFR-UHFFFAOYSA-N
XLogP4.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide (CID 1261661) is N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccncc3)cc(C(=O)NCCc3ccc(F)cc3)c2c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is QLCWGMZXIKYQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O/c1-16-2-7-22-20(14-16)21(15-23(28-22)18-9-11-26-12-10-18)24(29)27-13-8-17-3-5-19(25)6-4-17/h2-7,9-12,14-15H,8,13H2,1H3,(H,27,29).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 1261661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).