(3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone

C15H20N2O2 — CID 103355979

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cccc3c2CCCN3)C1
InChIInChI=1S/C15H20N2O2/c1-15(19)7-9-17(10-15)14(18)12-4-2-6-13-11(12)5-3-8-16-13/h2,4,6,16,19H,3,5,7-10H2,1H3
InChIKeyCVRGKOFTZBKPCY-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.64
Rot. Bonds1

About (3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone (PubChem CID 103355979) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
PubChem CID103355979
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cccc3c2CCCN3)C1
InChIInChI=1S/C15H20N2O2/c1-15(19)7-9-17(10-15)14(18)12-4-2-6-13-11(12)5-3-8-16-13/h2,4,6,16,19H,3,5,7-10H2,1H3
InChIKeyCVRGKOFTZBKPCY-UHFFFAOYSA-N
XLogP1.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 55126550
(4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849515
1,3-dihydroisoindol-2-yl(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62850424
(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849338
[(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 107217199
(1,1-dioxo-1,4-thiazepan-4-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 104954785
(2,6-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62850768
(2-methyl-1,4-oxazepan-4-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62973493
(4-propylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62850423
[4-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 63978245
(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 103726762
(3-bromo-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727013

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone (CID 103355979) is (3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone is CC1(O)CCN(C(=O)c2cccc3c2CCCN3)C1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The InChIKey is CVRGKOFTZBKPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(19)7-9-17(10-15)14(18)12-4-2-6-13-11(12)5-3-8-16-13/h2,4,6,16,19H,3,5,7-10H2,1H3.
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone is sourced from PubChem (CID 103355979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).