6-fluoro-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide

C19H17FN2O — CID 2957233

IUPAC6-fluoro-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccccc2)c2cc(F)ccc2n1
InChIInChI=1S/C19H17FN2O/c1-12-10-17(16-11-15(20)8-9-18(16)21-12)19(23)22-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,22,23)
InChIKeyVHMRUQPUGCNBSP-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.17
Rot. Bonds3

About 6-fluoro-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide

6-fluoro-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide (PubChem CID 2957233) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide
PubChem CID2957233
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name6-fluoro-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccccc2)c2cc(F)ccc2n1
InChIInChI=1S/C19H17FN2O/c1-12-10-17(16-11-15(20)8-9-18(16)21-12)19(23)22-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,22,23)
InChIKeyVHMRUQPUGCNBSP-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.17
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-(1-phenylethyl)quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide (CID 2957233) is 6-fluoro-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide is Cc1cc(C(=O)NC(C)c2ccccc2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide?
The InChIKey is VHMRUQPUGCNBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-12-10-17(16-11-15(20)8-9-18(16)21-12)19(23)22-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,22,23).
What are the key properties of 6-fluoro-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide?
6-fluoro-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 4.17, 3 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-(1-phenylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 2957233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).