(6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C16H15FN2O2 — CID 63979492

IUPAC(6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1ccc(F)nc1
InChIInChI=1S/C16H15FN2O2/c1-21-13-5-6-14-11(9-13)3-2-8-19(14)16(20)12-4-7-15(17)18-10-12/h4-7,9-10H,2-3,8H2,1H3
InChIKeySXFHTVWBFZJYCZ-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.82
Rot. Bonds2

About (6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

(6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 63979492) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is (6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID63979492
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name(6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1ccc(F)nc1
InChIInChI=1S/C16H15FN2O2/c1-21-13-5-6-14-11(9-13)3-2-8-19(14)16(20)12-4-7-15(17)18-10-12/h4-7,9-10H,2-3,8H2,1H3
InChIKeySXFHTVWBFZJYCZ-UHFFFAOYSA-N
XLogP2.82
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 18122068
3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone
CID 63972350
3-fluoro-4-(7-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzoic acid
CID 120550731
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 18132704
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46543036
(3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61258727
[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 39297315
(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone
CID 52795317
(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
CID 110714075
2-methoxy-5-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-N-methylbenzenesulfonamide
CID 34363466
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]ethanone
CID 42925515

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 63979492) is (6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1ccc2c(c1)CCCN2C(=O)c1ccc(F)nc1.
What is the InChIKey of (6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is SXFHTVWBFZJYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-21-13-5-6-14-11(9-13)3-2-8-19(14)16(20)12-4-7-15(17)18-10-12/h4-7,9-10H,2-3,8H2,1H3.
What are the key properties of (6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
(6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 286.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 63979492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).