6-fluoro-2-methyl-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide

C14H19FN2O — CID 3145247

IUPAC6-fluoro-2-methyl-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCCCNC(=O)N1c2ccc(F)cc2CCC1C
InChIInChI=1S/C14H19FN2O/c1-3-8-16-14(18)17-10(2)4-5-11-9-12(15)6-7-13(11)17/h6-7,9-10H,3-5,8H2,1-2H3,(H,16,18)
InChIKeyAEFKGNKHEBGABF-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.09
Rot. Bonds2

About 6-fluoro-2-methyl-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide

6-fluoro-2-methyl-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 3145247) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID3145247
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name6-fluoro-2-methyl-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCCCNC(=O)N1c2ccc(F)cc2CCC1C
InChIInChI=1S/C14H19FN2O/c1-3-8-16-14(18)17-10(2)4-5-11-9-12(15)6-7-13(11)17/h6-7,9-10H,3-5,8H2,1-2H3,(H,16,18)
InChIKeyAEFKGNKHEBGABF-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 6-fluoro-2-methyl-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide (CID 3145247) is 6-fluoro-2-methyl-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 6-fluoro-2-methyl-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 6-fluoro-2-methyl-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide is CCCNC(=O)N1c2ccc(F)cc2CCC1C.
What is the InChIKey of 6-fluoro-2-methyl-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is AEFKGNKHEBGABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-3-8-16-14(18)17-10(2)4-5-11-9-12(15)6-7-13(11)17/h6-7,9-10H,3-5,8H2,1-2H3,(H,16,18).
What are the key properties of 6-fluoro-2-methyl-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide?
6-fluoro-2-methyl-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 3145247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).