6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one

C12H16N2O — CID 82282846

IUPAC6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCNCCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H16N2O/c1-13-7-6-9-2-4-11-10(8-9)3-5-12(15)14-11/h2,4,8,13H,3,5-7H2,1H3,(H,14,15)
InChIKeyBRPWKYAEHPYMLH-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.33
Rot. Bonds3

About 6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one

6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82282846) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID82282846
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCNCCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H16N2O/c1-13-7-6-9-2-4-11-10(8-9)3-5-12(15)14-11/h2,4,8,13H,3,5-7H2,1H3,(H,14,15)
InChIKeyBRPWKYAEHPYMLH-UHFFFAOYSA-N
XLogP1.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 115175903
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butane-1-sulfonamide
CID 110788676
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037
6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82283516
6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115215832
6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115217775
6-[2-(azetidin-3-ylmethylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115207782
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropanecarboxamide
CID 110788608
5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one
CID 115197988
3-amino-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 115152989
6-[2-[(2-amino-3-hydroxypropyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115120823
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride
CID 82488863

Frequently Asked Questions

What is the IUPAC name of 6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 82282846) is 6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one is CNCCc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BRPWKYAEHPYMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-13-7-6-9-2-4-11-10(8-9)3-5-12(15)14-11/h2,4,8,13H,3,5-7H2,1H3,(H,14,15).
What are the key properties of 6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82282846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).