6-fluoro-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide

C19H17FN2O — CID 944250

IUPAC6-fluoro-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccccc2)c2cc(F)ccc2n1
InChIInChI=1S/C19H17FN2O/c1-13-11-17(16-12-15(20)7-8-18(16)22-13)19(23)21-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,21,23)
InChIKeyPPIAMNDQNPQTFR-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.65
Rot. Bonds4

About 6-fluoro-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide

6-fluoro-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide (PubChem CID 944250) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
PubChem CID944250
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name6-fluoro-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCc2ccccc2)c2cc(F)ccc2n1
InChIInChI=1S/C19H17FN2O/c1-13-11-17(16-12-15(20)7-8-18(16)22-13)19(23)21-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,21,23)
InChIKeyPPIAMNDQNPQTFR-UHFFFAOYSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide (CID 944250) is 6-fluoro-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide is Cc1cc(C(=O)NCCc2ccccc2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide?
The InChIKey is PPIAMNDQNPQTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-13-11-17(16-12-15(20)7-8-18(16)22-13)19(23)21-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,21,23).
What are the key properties of 6-fluoro-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide?
6-fluoro-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 944250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).