(3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone

C15H20N2O2 — CID 103533859

IUPAC(3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
SMILESCOC1CCN(C(=O)C2CCc3ccccc3N2)C1
InChIInChI=1S/C15H20N2O2/c1-19-12-8-9-17(10-12)15(18)14-7-6-11-4-2-3-5-13(11)16-14/h2-5,12,14,16H,6-10H2,1H3
InChIKeyZHXLHWVQFRLHSX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.66
Rot. Bonds2

About (3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone

(3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone (PubChem CID 103533859) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone.

Molecular Properties

Compound Name(3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
PubChem CID103533859
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
SMILESCOC1CCN(C(=O)C2CCc3ccccc3N2)C1
InChIInChI=1S/C15H20N2O2/c1-19-12-8-9-17(10-12)15(18)14-7-6-11-4-2-3-5-13(11)16-14/h2-5,12,14,16H,6-10H2,1H3
InChIKeyZHXLHWVQFRLHSX-UHFFFAOYSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
CID 43373219
(4-propan-2-ylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
CID 103495813
(3-hydroxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
CID 61435167
2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 76895982
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 124591728
[(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64597075
(4-methoxypiperidin-1-yl)-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 61156076
(3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 103533851
(4-methoxypiperidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119275336
argon;1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 158312958
methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 76894114
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanone
CID 82752604

Frequently Asked Questions

What is the IUPAC name of (3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone?
The IUPAC name of (3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone (CID 103533859) is (3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone.
What is the SMILES notation for (3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone?
The canonical SMILES for (3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone is COC1CCN(C(=O)C2CCc3ccccc3N2)C1.
What is the InChIKey of (3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone?
The InChIKey is ZHXLHWVQFRLHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-12-8-9-17(10-12)15(18)14-7-6-11-4-2-3-5-13(11)16-14/h2-5,12,14,16H,6-10H2,1H3.
What are the key properties of (3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone?
(3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone is sourced from PubChem (CID 103533859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).