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

C23H18FN3O — CID 1261435

IUPACN-[(2-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccncc3)cc(C(=O)NCc3ccccc3F)c2c1
InChIInChI=1S/C23H18FN3O/c1-15-6-7-21-18(12-15)19(13-22(27-21)16-8-10-25-11-9-16)23(28)26-14-17-4-2-3-5-20(17)24/h2-13H,14H2,1H3,(H,26,28)
InChIKeyUHMFTIRGZHSZKZ-UHFFFAOYSA-N
MW371.42 g/mol
LogP4.67
Rot. Bonds4

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

N-[(2-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 1261435) has the molecular formula C23H18FN3O and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID1261435
Molecular FormulaC23H18FN3O
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC NameN-[(2-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccncc3)cc(C(=O)NCc3ccccc3F)c2c1
InChIInChI=1S/C23H18FN3O/c1-15-6-7-21-18(12-15)19(13-22(27-21)16-8-10-25-11-9-16)23(28)26-14-17-4-2-3-5-20(17)24/h2-13H,14H2,1H3,(H,26,28)
InChIKeyUHMFTIRGZHSZKZ-UHFFFAOYSA-N
XLogP4.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide (CID 1261435) is N-[(2-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccncc3)cc(C(=O)NCc3ccccc3F)c2c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is UHMFTIRGZHSZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O/c1-15-6-7-21-18(12-15)19(13-22(27-21)16-8-10-25-11-9-16)23(28)26-14-17-4-2-3-5-20(17)24/h2-13H,14H2,1H3,(H,26,28).
What are the key properties of N-[(2-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
N-[(2-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 1261435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).