[3-(2,6-difluoro-3-pyridinyl)-2-azabicyclo[3.2.1]oct-3-en-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C22H21F2N3O — CID 91342617

IUPAC[3-(2,6-difluoro-3-pyridinyl)-2-azabicyclo[3.2.1]oct-3-en-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(N1CCCc2ccccc21)N1C(c2ccc(F)nc2F)=CC2CCC1C2
InChIInChI=1S/C22H21F2N3O/c23-20-10-9-17(21(24)25-20)19-13-14-7-8-16(12-14)27(19)22(28)26-11-3-5-15-4-1-2-6-18(15)26/h1-2,4,6,9-10,13-14,16H,3,5,7-8,11-12H2
InChIKeyAUYXTRAZZLOCST-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.76
Rot. Bonds1

About [3-(2,6-difluoro-3-pyridinyl)-2-azabicyclo[3.2.1]oct-3-en-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[3-(2,6-difluoro-3-pyridinyl)-2-azabicyclo[3.2.1]oct-3-en-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 91342617) has the molecular formula C22H21F2N3O and a molecular weight of 381.43 g/mol. Its IUPAC name is [3-(2,6-difluoro-3-pyridinyl)-2-azabicyclo[3.2.1]oct-3-en-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2,6-difluoro-3-pyridinyl)-2-azabicyclo[3.2.1]oct-3-en-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID91342617
Molecular FormulaC22H21F2N3O
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name[3-(2,6-difluoro-3-pyridinyl)-2-azabicyclo[3.2.1]oct-3-en-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(N1CCCc2ccccc21)N1C(c2ccc(F)nc2F)=CC2CCC1C2
InChIInChI=1S/C22H21F2N3O/c23-20-10-9-17(21(24)25-20)19-13-14-7-8-16(12-14)27(19)22(28)26-11-3-5-15-4-1-2-6-18(15)26/h1-2,4,6,9-10,13-14,16H,3,5,7-8,11-12H2
InChIKeyAUYXTRAZZLOCST-UHFFFAOYSA-N
XLogP4.76
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-(2,6-difluoro-3-pyridinyl)-2-azabicyclo[3.2.1]oct-3-en-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
3,4-dihydro-2H-quinolin-1-yl-(6-fluoro-3-pyridinyl)methanone
CID 63972350
1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid
CID 28513192
3,4-dihydro-2H-quinolin-1-yl-[3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone
CID 24805133
[3-(2,5-dichloro-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 24803327
4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde
CID 108988608
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 139695348
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
(2S)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61184197
3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone
CID 24896014
6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
CID 43558372

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-difluoro-3-pyridinyl)-2-azabicyclo[3.2.1]oct-3-en-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [3-(2,6-difluoro-3-pyridinyl)-2-azabicyclo[3.2.1]oct-3-en-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 91342617) is [3-(2,6-difluoro-3-pyridinyl)-2-azabicyclo[3.2.1]oct-3-en-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [3-(2,6-difluoro-3-pyridinyl)-2-azabicyclo[3.2.1]oct-3-en-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [3-(2,6-difluoro-3-pyridinyl)-2-azabicyclo[3.2.1]oct-3-en-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(N1CCCc2ccccc21)N1C(c2ccc(F)nc2F)=CC2CCC1C2.
What is the InChIKey of [3-(2,6-difluoro-3-pyridinyl)-2-azabicyclo[3.2.1]oct-3-en-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is AUYXTRAZZLOCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O/c23-20-10-9-17(21(24)25-20)19-13-14-7-8-16(12-14)27(19)22(28)26-11-3-5-15-4-1-2-6-18(15)26/h1-2,4,6,9-10,13-14,16H,3,5,7-8,11-12H2.
What are the key properties of [3-(2,6-difluoro-3-pyridinyl)-2-azabicyclo[3.2.1]oct-3-en-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[3-(2,6-difluoro-3-pyridinyl)-2-azabicyclo[3.2.1]oct-3-en-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 381.43 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-difluoro-3-pyridinyl)-2-azabicyclo[3.2.1]oct-3-en-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 91342617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).