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

C15H20N2O — CID 55126550

IUPAC(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESCC1CCN(C(=O)c2cccc3c2CCCN3)C1
InChIInChI=1S/C15H20N2O/c1-11-7-9-17(10-11)15(18)13-4-2-6-14-12(13)5-3-8-16-14/h2,4,6,11,16H,3,5,7-10H2,1H3
InChIKeyKYVKEFAASJFJQH-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.53
Rot. Bonds1

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

(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone (PubChem CID 55126550) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone.

Molecular Properties

Compound Name(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
PubChem CID55126550
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
SMILESCC1CCN(C(=O)c2cccc3c2CCCN3)C1
InChIInChI=1S/C15H20N2O/c1-11-7-9-17(10-11)15(18)13-4-2-6-14-12(13)5-3-8-16-14/h2,4,6,11,16H,3,5,7-10H2,1H3
InChIKeyKYVKEFAASJFJQH-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 107217199
(2-methyl-1,4-oxazepan-4-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62973493
(2,6-dimethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62850768
(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
(4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849515
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 103355979
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
(1,1-dioxo-1,4-thiazepan-4-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 104954785
1-(1,2,3,4-tetrahydroquinoline-5-carbonyl)pyrrolidine-2-carboxamide
CID 62848480
[2-(hydroxymethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849882

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The IUPAC name of (3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone (CID 55126550) is (3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone.
What is the SMILES notation for (3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The canonical SMILES for (3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone is CC1CCN(C(=O)c2cccc3c2CCCN3)C1.
What is the InChIKey of (3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
The InChIKey is KYVKEFAASJFJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-7-9-17(10-11)15(18)13-4-2-6-14-12(13)5-3-8-16-14/h2,4,6,11,16H,3,5,7-10H2,1H3.
What are the key properties of (3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone?
(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone has a molecular weight of 244.34 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone is sourced from PubChem (CID 55126550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).