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

C16H22N2O — CID 79180699

IUPAC(3,4-dimethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
SMILESCC1CN(C(=O)C2CNc3ccccc3C2)CC1C
InChIInChI=1S/C16H22N2O/c1-11-9-18(10-12(11)2)16(19)14-7-13-5-3-4-6-15(13)17-8-14/h3-6,11-12,14,17H,7-10H2,1-2H3
InChIKeyOIFSHYYEZGGLRG-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.39
Rot. Bonds1

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

(3,4-dimethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-3-yl)methanone (PubChem CID 79180699) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (3,4-dimethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-3-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
PubChem CID79180699
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(3,4-dimethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
SMILESCC1CN(C(=O)C2CNc3ccccc3C2)CC1C
InChIInChI=1S/C16H22N2O/c1-11-9-18(10-12(11)2)16(19)14-7-13-5-3-4-6-15(13)17-8-14/h3-6,11-12,14,17H,7-10H2,1-2H3
InChIKeyOIFSHYYEZGGLRG-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-3-yl)methanone?
The IUPAC name of (3,4-dimethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-3-yl)methanone (CID 79180699) is (3,4-dimethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-3-yl)methanone.
What is the SMILES notation for (3,4-dimethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-3-yl)methanone?
The canonical SMILES for (3,4-dimethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-3-yl)methanone is CC1CN(C(=O)C2CNc3ccccc3C2)CC1C.
What is the InChIKey of (3,4-dimethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-3-yl)methanone?
The InChIKey is OIFSHYYEZGGLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-9-18(10-12(11)2)16(19)14-7-13-5-3-4-6-15(13)17-8-14/h3-6,11-12,14,17H,7-10H2,1-2H3.
What are the key properties of (3,4-dimethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-3-yl)methanone?
(3,4-dimethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-3-yl)methanone has a molecular weight of 258.36 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-3-yl)methanone is sourced from PubChem (CID 79180699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).