(5S)-5-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one

C13H20N2O — CID 97053083

IUPAC(5S)-5-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)Cn1c2c(ccc1=O)[C@@H](N)CCC2
InChIInChI=1S/C13H20N2O/c1-9(2)8-15-12-5-3-4-11(14)10(12)6-7-13(15)16/h6-7,9,11H,3-5,8,14H2,1-2H3/t11-/m0/s1
InChIKeyTZAQCGZNPMEWJZ-NSHDSACASA-N
MW220.32 g/mol
LogP1.84
Rot. Bonds2

About (5S)-5-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one

(5S)-5-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 97053083) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (5S)-5-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name(5S)-5-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID97053083
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(5S)-5-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)Cn1c2c(ccc1=O)[C@@H](N)CCC2
InChIInChI=1S/C13H20N2O/c1-9(2)8-15-12-5-3-4-11(14)10(12)6-7-13(15)16/h6-7,9,11H,3-5,8,14H2,1-2H3/t11-/m0/s1
InChIKeyTZAQCGZNPMEWJZ-NSHDSACASA-N
XLogP1.84
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-5-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one with MolForge

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Related Compounds

5-amino-1,5-dimethyl-7,8-dihydro-6H-quinolin-2-one
CID 10397713
5-Amino-1-(3-methyl-but-2-enyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 10263358
5-amino-5,6,7,8-tetrahydroquinolin-2(1H)-one
CID 5148061
5-(Butylamino)-5,6,7,8-tetrahydro-2(1H)-quinolinone
CID 10656568
5-Amino-1-methyl-1,2,5,6,7,8-hexahydroquinolin-2-one
CID 81105195
5-(3,3-Dimethyl-butylamino)-1-propyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 9971488
6-Amino-1-ethyl-5,6,7,8-tetrahydroquinolin-2(1H)-one
CID 84618285
6-Amino-1-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinolin-2(1H)-one
CID 118738729
6-Amino-1-(2-methoxyethyl)-5,6,7,8-tetrahydroquinolin-2(1H)-one
CID 118738741
6-Amino-1-isobutyl-5,6,7,8-tetrahydroquinolin-2(1H)-one
CID 118738743
2-acetamido-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]acetamide
CID 118738999
1-cyclopentyl-3-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-6-yl)urea
CID 118739034

Frequently Asked Questions

What is the IUPAC name of (5S)-5-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of (5S)-5-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 97053083) is (5S)-5-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for (5S)-5-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for (5S)-5-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one is CC(C)Cn1c2c(ccc1=O)[C@@H](N)CCC2.
What is the InChIKey of (5S)-5-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is TZAQCGZNPMEWJZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)8-15-12-5-3-4-11(14)10(12)6-7-13(15)16/h6-7,9,11H,3-5,8,14H2,1-2H3/t11-/m0/s1.
What are the key properties of (5S)-5-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one?
(5S)-5-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 97053083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).