(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone

C16H15FN2O — CID 3866965

IUPAC(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone
SMILESCC1CCc2cc(F)ccc2N1C(=O)c1cccnc1
InChIInChI=1S/C16H15FN2O/c1-11-4-5-12-9-14(17)6-7-15(12)19(11)16(20)13-3-2-8-18-10-13/h2-3,6-11H,4-5H2,1H3
InChIKeyRCFGIJNWRVDOBP-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.20
Rot. Bonds1

About (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone

(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone (PubChem CID 3866965) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone
PubChem CID3866965
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone
SMILESCC1CCc2cc(F)ccc2N1C(=O)c1cccnc1
InChIInChI=1S/C16H15FN2O/c1-11-4-5-12-9-14(17)6-7-15(12)19(11)16(20)13-3-2-8-18-10-13/h2-3,6-11H,4-5H2,1H3
InChIKeyRCFGIJNWRVDOBP-UHFFFAOYSA-N
XLogP3.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone?
The IUPAC name of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone (CID 3866965) is (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone is CC1CCc2cc(F)ccc2N1C(=O)c1cccnc1.
What is the InChIKey of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone?
The InChIKey is RCFGIJNWRVDOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-11-4-5-12-9-14(17)6-7-15(12)19(11)16(20)13-3-2-8-18-10-13/h2-3,6-11H,4-5H2,1H3.
What are the key properties of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone?
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone has a molecular weight of 270.31 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 3866965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).