3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide

C19H20FN3O — CID 23140532

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CC(N2CCCc3ccccc32)C1
InChIInChI=1S/C19H20FN3O/c20-16-8-2-3-9-17(16)21-19(24)22-12-15(13-22)23-11-5-7-14-6-1-4-10-18(14)23/h1-4,6,8-10,15H,5,7,11-13H2,(H,21,24)
InChIKeyFRURDVQDIAUKNH-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.49
Rot. Bonds2

About 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide

3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide (PubChem CID 23140532) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
PubChem CID23140532
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CC(N2CCCc3ccccc32)C1
InChIInChI=1S/C19H20FN3O/c20-16-8-2-3-9-17(16)21-19(24)22-12-15(13-22)23-11-5-7-14-6-1-4-10-18(14)23/h1-4,6,8-10,15H,5,7,11-13H2,(H,21,24)
InChIKeyFRURDVQDIAUKNH-UHFFFAOYSA-N
XLogP3.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 23140046
N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide
CID 23140123
N-(3-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide
CID 23140704
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide
CID 23139882
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
N-(2-fluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 6468631
methyl 3-[[3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carbonyl]amino]benzoate
CID 23140713
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 121154547
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid
CID 67493051
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)propanamide
CID 24588519

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide (CID 23140532) is 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide is O=C(Nc1ccccc1F)N1CC(N2CCCc3ccccc32)C1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide?
The InChIKey is FRURDVQDIAUKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-16-8-2-3-9-17(16)21-19(24)22-12-15(13-22)23-11-5-7-14-6-1-4-10-18(14)23/h1-4,6,8-10,15H,5,7,11-13H2,(H,21,24).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide?
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide is sourced from PubChem (CID 23140532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).