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

C15H13FN2O — CID 63972350

IUPAC3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone
SMILESO=C(c1ccc(F)nc1)N1CCCc2ccccc21
InChIInChI=1S/C15H13FN2O/c16-14-8-7-12(10-17-14)15(19)18-9-3-5-11-4-1-2-6-13(11)18/h1-2,4,6-8,10H,3,5,9H2
InChIKeyGZPPCTCSBFMJAB-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.81
Rot. Bonds1

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

3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone (PubChem CID 63972350) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone
PubChem CID63972350
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone
SMILESO=C(c1ccc(F)nc1)N1CCCc2ccccc21
InChIInChI=1S/C15H13FN2O/c16-14-8-7-12(10-17-14)15(19)18-9-3-5-11-4-1-2-6-13(11)18/h1-2,4,6-8,10H,3,5,9H2
InChIKeyGZPPCTCSBFMJAB-UHFFFAOYSA-N
XLogP2.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[6-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109162542
(6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63979492
(6-fluoro-3-pyridinyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63980528
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
[2-(tert-butylamino)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109262976
3,4-dihydro-2H-quinolin-1-yl-(4-fluoro-3-sulfanylphenyl)methanone
CID 107021556
(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 23120300
methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
CID 31676778
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
3,4-dihydro-2H-quinolin-1-yl-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109250910
1-[3-[[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]phenyl]ethanone
CID 109162524

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone (CID 63972350) is 3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone is O=C(c1ccc(F)nc1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone?
The InChIKey is GZPPCTCSBFMJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-14-8-7-12(10-17-14)15(19)18-9-3-5-11-4-1-2-6-13(11)18/h1-2,4,6-8,10H,3,5,9H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone has a molecular weight of 256.28 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 63972350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).