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

C18H27N3O — CID 84599068

IUPAC6-[1-[2-(1-methylpyrrolidin-2-yl)ethylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(NCCC1CCCN1C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H27N3O/c1-13(19-10-9-16-4-3-11-21(16)2)14-5-7-17-15(12-14)6-8-18(22)20-17/h5,7,12-13,16,19H,3-4,6,8-11H2,1-2H3,(H,20,22)
InChIKeyMGMMHBRVVNNZEZ-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.71
Rot. Bonds5

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

6-[1-[2-(1-methylpyrrolidin-2-yl)ethylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 84599068) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 6-[1-[2-(1-methylpyrrolidin-2-yl)ethylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[1-[2-(1-methylpyrrolidin-2-yl)ethylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID84599068
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name6-[1-[2-(1-methylpyrrolidin-2-yl)ethylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(NCCC1CCCN1C)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H27N3O/c1-13(19-10-9-16-4-3-11-21(16)2)14-5-7-17-15(12-14)6-8-18(22)20-17/h5,7,12-13,16,19H,3-4,6,8-11H2,1-2H3,(H,20,22)
InChIKeyMGMMHBRVVNNZEZ-UHFFFAOYSA-N
XLogP2.71
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-fluorophenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
CID 81347133
6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 95137572
(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]ethanamine
CID 81373836
6-[(1S)-1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 94822379
6-[(1R)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 52534243
6-[2-cyclobutyl-1-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 103162813
6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 51131286
6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 95582546
6-[(1S)-1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 94182663
(3R)-3-cyclopropyl-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butanamide
CID 97314500
6-[1-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 75442754
6-[(1R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 95579584

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(1-methylpyrrolidin-2-yl)ethylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[1-[2-(1-methylpyrrolidin-2-yl)ethylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 84599068) is 6-[1-[2-(1-methylpyrrolidin-2-yl)ethylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[1-[2-(1-methylpyrrolidin-2-yl)ethylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[1-[2-(1-methylpyrrolidin-2-yl)ethylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one is CC(NCCC1CCCN1C)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[1-[2-(1-methylpyrrolidin-2-yl)ethylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MGMMHBRVVNNZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-13(19-10-9-16-4-3-11-21(16)2)14-5-7-17-15(12-14)6-8-18(22)20-17/h5,7,12-13,16,19H,3-4,6,8-11H2,1-2H3,(H,20,22).
What are the key properties of 6-[1-[2-(1-methylpyrrolidin-2-yl)ethylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[1-[2-(1-methylpyrrolidin-2-yl)ethylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 301.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(1-methylpyrrolidin-2-yl)ethylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 84599068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).