(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone

C16H20N2O2 — CID 107218755

IUPAC(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCN2)N1CC(O)(C2CC2)C1
InChIInChI=1S/C16H20N2O2/c19-15(18-9-16(20,10-18)13-4-5-13)12-3-6-14-11(8-12)2-1-7-17-14/h3,6,8,13,17,20H,1-2,4-5,7,9-10H2
InChIKeyBAIOPHMIQPBSIP-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.64
Rot. Bonds2

About (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone

(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone (PubChem CID 107218755) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone.

Molecular Properties

Compound Name(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
PubChem CID107218755
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCN2)N1CC(O)(C2CC2)C1
InChIInChI=1S/C16H20N2O2/c19-15(18-9-16(20,10-18)13-4-5-13)12-3-6-14-11(8-12)2-1-7-17-14/h3,6,8,13,17,20H,1-2,4-5,7,9-10H2
InChIKeyBAIOPHMIQPBSIP-UHFFFAOYSA-N
XLogP1.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone with MolForge

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Related Compounds

(3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 103533020
1,4-oxazepan-4-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 62973285
(2-propylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 83052849
[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 106586843
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
2-methyl-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-3-carboxylic acid
CID 79369247
(2S)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 61162121
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106753419
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,5-diaminophenyl)methanone
CID 107210418
2,3-dihydro-1H-indol-5-yl-(2-ethylpyrrolidin-1-yl)methanone
CID 54886081
3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)piperazin-2-one
CID 63606548
2,3-dihydro-1H-indol-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63166948

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The IUPAC name of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone (CID 107218755) is (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone.
What is the SMILES notation for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The canonical SMILES for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone is O=C(c1ccc2c(c1)CCCN2)N1CC(O)(C2CC2)C1.
What is the InChIKey of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The InChIKey is BAIOPHMIQPBSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15(18-9-16(20,10-18)13-4-5-13)12-3-6-14-11(8-12)2-1-7-17-14/h3,6,8,13,17,20H,1-2,4-5,7,9-10H2.
What are the key properties of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone is sourced from PubChem (CID 107218755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).