1-butyl-5,6,7,8-tetrahydroquinolin-2-one

C13H19NO — CID 13169241

IUPAC1-butyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCCn1c2c(ccc1=O)CCCC2
InChIInChI=1S/C13H19NO/c1-2-3-10-14-12-7-5-4-6-11(12)8-9-13(14)15/h8-9H,2-7,10H2,1H3
InChIKeyQWAHTNARSGSWPY-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.53
Rot. Bonds3

About 1-butyl-5,6,7,8-tetrahydroquinolin-2-one

1-butyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 13169241) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-butyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-butyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID13169241
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-butyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCCn1c2c(ccc1=O)CCCC2
InChIInChI=1S/C13H19NO/c1-2-3-10-14-12-7-5-4-6-11(12)8-9-13(14)15/h8-9H,2-7,10H2,1H3
InChIKeyQWAHTNARSGSWPY-UHFFFAOYSA-N
XLogP2.53
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-(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
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-isobutyl-5,6,7,8-tetrahydroquinolin-2(1H)-one
CID 118738743
6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 118744521
1-[2-(Dimethylamino)ethyl]-6-(propan-2-ylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 118745778
3-(2-oxo-5,6,7,8-tetrahydro-1(2H)-quinolinyl)propanenitrile
CID 2817317
N-ethyl-5-oxo-5,6,7,8-tetrahydrocarbostyril
CID 12229996
1-Butyl-3-methyl-5,6,7,8-tetrahydro-1h-quinolin-2-one
CID 13169243

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-butyl-5,6,7,8-tetrahydroquinolin-2-one (CID 13169241) is 1-butyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-butyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-butyl-5,6,7,8-tetrahydroquinolin-2-one is CCCCn1c2c(ccc1=O)CCCC2.
What is the InChIKey of 1-butyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is QWAHTNARSGSWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-3-10-14-12-7-5-4-6-11(12)8-9-13(14)15/h8-9H,2-7,10H2,1H3.
What are the key properties of 1-butyl-5,6,7,8-tetrahydroquinolin-2-one?
1-butyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 13169241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).