3-amino-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one

C14H22N2O — CID 82466772

IUPAC3-amino-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)CCn1c2c(cc(N)c1=O)CCCC2
InChIInChI=1S/C14H22N2O/c1-10(2)7-8-16-13-6-4-3-5-11(13)9-12(15)14(16)17/h9-10H,3-8,15H2,1-2H3
InChIKeySSFIVUWUXSTXCQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.36
Rot. Bonds3

About 3-amino-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one

3-amino-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 82466772) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-amino-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name3-amino-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID82466772
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-amino-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)CCn1c2c(cc(N)c1=O)CCCC2
InChIInChI=1S/C14H22N2O/c1-10(2)7-8-16-13-6-4-3-5-11(13)9-12(15)14(16)17/h9-10H,3-8,15H2,1-2H3
InChIKeySSFIVUWUXSTXCQ-UHFFFAOYSA-N
XLogP2.36
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Amino-1-ethyl-5,6,7,8-tetrahydroquinolin-2(1H)-one
CID 84618285
6-Amino-1-isobutyl-5,6,7,8-tetrahydroquinolin-2(1H)-one
CID 118738743
1-[2-(Dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 118745778
1-Butyl-5,6,7,8-tetrahydro-1h-quinolin-2-one
CID 13169241
3-Amino-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-6,7-dihydroquinolin-2-one
CID 123688124
(9aS)-5-amino-3-(2-methylpropyl)-2,8,9,9a-tetrahydro-1H-3-benzazepin-4-one
CID 20589651
(9aS)-5-amino-3-methyl-2,8,9,9a-tetrahydro-1H-3-benzazepin-4-one
CID 20589652
3-Amino-1-heptyl-4-methylpyridin-2-one
CID 21706475
3-Amino-4-methyl-1-(5-methylhexyl)pyridin-2-one
CID 21706527
3-Amino-1-(cyclohexylmethyl)-4-methylpyridin-2-one
CID 21706547
3-Amino-1-butyl-5,6-dimethyl-2-pyridone
CID 22266463
3-Amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one acetic acid salt
CID 22266484

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 3-amino-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 82466772) is 3-amino-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 3-amino-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 3-amino-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one is CC(C)CCn1c2c(cc(N)c1=O)CCCC2.
What is the InChIKey of 3-amino-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is SSFIVUWUXSTXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)7-8-16-13-6-4-3-5-11(13)9-12(15)14(16)17/h9-10H,3-8,15H2,1-2H3.
What are the key properties of 3-amino-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one?
3-amino-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 234.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 82466772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).