7-fluoro-N-(2-methylpropyl)-2-pyridin-2-ylquinoline-4-carboxamide

C19H18FN3O — CID 39349561

IUPAC7-fluoro-N-(2-methylpropyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2ccccn2)nc2cc(F)ccc12
InChIInChI=1S/C19H18FN3O/c1-12(2)11-22-19(24)15-10-18(16-5-3-4-8-21-16)23-17-9-13(20)6-7-14(15)17/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeyUUVFKURIZHEUFH-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.82
Rot. Bonds4

About 7-fluoro-N-(2-methylpropyl)-2-pyridin-2-ylquinoline-4-carboxamide

7-fluoro-N-(2-methylpropyl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 39349561) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 7-fluoro-N-(2-methylpropyl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(2-methylpropyl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID39349561
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name7-fluoro-N-(2-methylpropyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2ccccn2)nc2cc(F)ccc12
InChIInChI=1S/C19H18FN3O/c1-12(2)11-22-19(24)15-10-18(16-5-3-4-8-21-16)23-17-9-13(20)6-7-14(15)17/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeyUUVFKURIZHEUFH-UHFFFAOYSA-N
XLogP3.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(2-methylpropyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-(2-methylpropyl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 39349561) is 7-fluoro-N-(2-methylpropyl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-(2-methylpropyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-(2-methylpropyl)-2-pyridin-2-ylquinoline-4-carboxamide is CC(C)CNC(=O)c1cc(-c2ccccn2)nc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-N-(2-methylpropyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is UUVFKURIZHEUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-12(2)11-22-19(24)15-10-18(16-5-3-4-8-21-16)23-17-9-13(20)6-7-14(15)17/h3-10,12H,11H2,1-2H3,(H,22,24).
What are the key properties of 7-fluoro-N-(2-methylpropyl)-2-pyridin-2-ylquinoline-4-carboxamide?
7-fluoro-N-(2-methylpropyl)-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(2-methylpropyl)-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 39349561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).