2-(diethylaminomethyl)-2,3,4,7-tetrahydro-1H-quinolin-8-one

C14H22N2O — CID 156769938

IUPAC2-(diethylaminomethyl)-2,3,4,7-tetrahydro-1H-quinolin-8-one
SMILESCCN(CC)CC1CCC2=C(N1)C(=O)CC=C2
InChIInChI=1S/C14H22N2O/c1-3-16(4-2)10-12-9-8-11-6-5-7-13(17)14(11)15-12/h5-6,12,15H,3-4,7-10H2,1-2H3
InChIKeyDGBNTLVPCLFAHH-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.86
Rot. Bonds4

About 2-(diethylaminomethyl)-2,3,4,7-tetrahydro-1H-quinolin-8-one

2-(diethylaminomethyl)-2,3,4,7-tetrahydro-1H-quinolin-8-one (PubChem CID 156769938) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-2,3,4,7-tetrahydro-1H-quinolin-8-one.

Molecular Properties

Compound Name2-(diethylaminomethyl)-2,3,4,7-tetrahydro-1H-quinolin-8-one
PubChem CID156769938
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(diethylaminomethyl)-2,3,4,7-tetrahydro-1H-quinolin-8-one
SMILESCCN(CC)CC1CCC2=C(N1)C(=O)CC=C2
InChIInChI=1S/C14H22N2O/c1-3-16(4-2)10-12-9-8-11-6-5-7-13(17)14(11)15-12/h5-6,12,15H,3-4,7-10H2,1-2H3
InChIKeyDGBNTLVPCLFAHH-UHFFFAOYSA-N
XLogP1.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tetra-hydroquinolin-8-one
CID 68871729
7-(3-Oxobutan-2-yl)-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one
CID 54080032
9-amino-2,3,10,10a-tetrahydro-1H-acridin-4-one
CID 88626516
3-Methyl-4-aza-1-azoniapentacyclo[11.8.1.01,6.09,22.015,20]docosa-8,10,13(22),14,16,20-hexaen-7-one
CID 88723527
5-Amino-4-butyl-6-(methylamino)cyclohexa-2,4-dien-1-one
CID 124197286
(6S)-6-(2-methylpropylamino)-3-piperidin-1-ylcyclohexa-2,4-dien-1-one
CID 141437297
2-methyl-2,3,4,7-tetrahydro-1H-quinolin-8-one
CID 156694407
2-propan-2-yl-2,3,4,7-tetrahydro-1H-quinolin-8-one
CID 156694442
5-[(5,8-Diamino-7-methyl-1,2,5,6-tetrahydroquinolin-6-yl)amino]cyclohexa-2,4-dien-1-one
CID 163574952
(9E)-9-[(Z)-but-2-enylidene]-1-ethenyl-4,7-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-8-one;ethane
CID 169153112
2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]propanamide
CID 81107696
N,N-dimethyl-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]propanamide
CID 81108897

Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-2,3,4,7-tetrahydro-1H-quinolin-8-one?
The IUPAC name of 2-(diethylaminomethyl)-2,3,4,7-tetrahydro-1H-quinolin-8-one (CID 156769938) is 2-(diethylaminomethyl)-2,3,4,7-tetrahydro-1H-quinolin-8-one.
What is the SMILES notation for 2-(diethylaminomethyl)-2,3,4,7-tetrahydro-1H-quinolin-8-one?
The canonical SMILES for 2-(diethylaminomethyl)-2,3,4,7-tetrahydro-1H-quinolin-8-one is CCN(CC)CC1CCC2=C(N1)C(=O)CC=C2.
What is the InChIKey of 2-(diethylaminomethyl)-2,3,4,7-tetrahydro-1H-quinolin-8-one?
The InChIKey is DGBNTLVPCLFAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-16(4-2)10-12-9-8-11-6-5-7-13(17)14(11)15-12/h5-6,12,15H,3-4,7-10H2,1-2H3.
What are the key properties of 2-(diethylaminomethyl)-2,3,4,7-tetrahydro-1H-quinolin-8-one?
2-(diethylaminomethyl)-2,3,4,7-tetrahydro-1H-quinolin-8-one has a molecular weight of 234.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-2,3,4,7-tetrahydro-1H-quinolin-8-one is sourced from PubChem (CID 156769938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).