2-[methyl(1,2,3,4-tetrahydroquinolin-3-yl)amino]-1-pyrrolidin-1-ylethanone

C16H23N3O — CID 61442426

IUPAC2-[methyl(1,2,3,4-tetrahydroquinolin-3-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)C1CNc2ccccc2C1
InChIInChI=1S/C16H23N3O/c1-18(12-16(20)19-8-4-5-9-19)14-10-13-6-2-3-7-15(13)17-11-14/h2-3,6-7,14,17H,4-5,8-12H2,1H3
InChIKeyXDLBSBFNHXOXRP-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.58
Rot. Bonds3

About 2-[methyl(1,2,3,4-tetrahydroquinolin-3-yl)amino]-1-pyrrolidin-1-ylethanone

2-[methyl(1,2,3,4-tetrahydroquinolin-3-yl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 61442426) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[methyl(1,2,3,4-tetrahydroquinolin-3-yl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl(1,2,3,4-tetrahydroquinolin-3-yl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID61442426
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[methyl(1,2,3,4-tetrahydroquinolin-3-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)C1CNc2ccccc2C1
InChIInChI=1S/C16H23N3O/c1-18(12-16(20)19-8-4-5-9-19)14-10-13-6-2-3-7-15(13)17-11-14/h2-3,6-7,14,17H,4-5,8-12H2,1H3
InChIKeyXDLBSBFNHXOXRP-UHFFFAOYSA-N
XLogP1.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,2,3,4-tetrahydroquinolin-3-yl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[methyl(1,2,3,4-tetrahydroquinolin-3-yl)amino]-1-pyrrolidin-1-ylethanone (CID 61442426) is 2-[methyl(1,2,3,4-tetrahydroquinolin-3-yl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[methyl(1,2,3,4-tetrahydroquinolin-3-yl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[methyl(1,2,3,4-tetrahydroquinolin-3-yl)amino]-1-pyrrolidin-1-ylethanone is CN(CC(=O)N1CCCC1)C1CNc2ccccc2C1.
What is the InChIKey of 2-[methyl(1,2,3,4-tetrahydroquinolin-3-yl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is XDLBSBFNHXOXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18(12-16(20)19-8-4-5-9-19)14-10-13-6-2-3-7-15(13)17-11-14/h2-3,6-7,14,17H,4-5,8-12H2,1H3.
What are the key properties of 2-[methyl(1,2,3,4-tetrahydroquinolin-3-yl)amino]-1-pyrrolidin-1-ylethanone?
2-[methyl(1,2,3,4-tetrahydroquinolin-3-yl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 273.38 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1,2,3,4-tetrahydroquinolin-3-yl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 61442426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).