2,3,4a,5-tetrahydro-1H-quinolin-4-one;hydrochloride

C9H12ClNO — CID 141373544

IUPAC2,3,4a,5-tetrahydro-1H-quinolin-4-one;hydrochloride
SMILESCl.O=C1CCNC2=CC=CCC12
InChIInChI=1S/C9H11NO.ClH/c11-9-5-6-10-8-4-2-1-3-7(8)9;/h1-2,4,7,10H,3,5-6H2;1H
InChIKeyZCZGEULQCZUADP-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.43
Rot. Bonds

About 2,3,4a,5-tetrahydro-1H-quinolin-4-one;hydrochloride

2,3,4a,5-tetrahydro-1H-quinolin-4-one;hydrochloride (PubChem CID 141373544) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2,3,4a,5-tetrahydro-1H-quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name2,3,4a,5-tetrahydro-1H-quinolin-4-one;hydrochloride
PubChem CID141373544
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2,3,4a,5-tetrahydro-1H-quinolin-4-one;hydrochloride
SMILESCl.O=C1CCNC2=CC=CCC12
InChIInChI=1S/C9H11NO.ClH/c11-9-5-6-10-8-4-2-1-3-7(8)9;/h1-2,4,7,10H,3,5-6H2;1H
InChIKeyZCZGEULQCZUADP-UHFFFAOYSA-N
XLogP1.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Oxo-hexahydroquinoline
CID 67278757
Tetrahydro-4-quinolone
CID 66867494
5-Oxohexahydroquinoline
CID 67278758
Hexahydroquinoline-3-carboxamide
CID 137796801
(4aR)-4a-fluoro-1,2,3,4-tetrahydroquinolin-5-one
CID 134545185
3-Methyltetrahydro-4-quinolone
CID 129795595
2,3,4a,5,6,7-hexahydro-1H-quinolin-4-one
CID 53437856
2,3,4a,8a-tetrahydro-1H-quinolin-4-one
CID 57088589
2,3,4,4a,6,8a-hexahydro-1H-isoquinolin-5-one
CID 57194337
2,3,4,4a,5,7-hexahydro-1H-quinolin-6-one
CID 67935573
2,3,4a,5,6,7-hexahydro-1H-1,6-naphthyridin-4-one
CID 68286604
2,4,4a,5-tetrahydro-1H-quinolin-3-one
CID 68793250

Frequently Asked Questions

What is the IUPAC name of 2,3,4a,5-tetrahydro-1H-quinolin-4-one;hydrochloride?
The IUPAC name of 2,3,4a,5-tetrahydro-1H-quinolin-4-one;hydrochloride (CID 141373544) is 2,3,4a,5-tetrahydro-1H-quinolin-4-one;hydrochloride.
What is the SMILES notation for 2,3,4a,5-tetrahydro-1H-quinolin-4-one;hydrochloride?
The canonical SMILES for 2,3,4a,5-tetrahydro-1H-quinolin-4-one;hydrochloride is Cl.O=C1CCNC2=CC=CCC12.
What is the InChIKey of 2,3,4a,5-tetrahydro-1H-quinolin-4-one;hydrochloride?
The InChIKey is ZCZGEULQCZUADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c11-9-5-6-10-8-4-2-1-3-7(8)9;/h1-2,4,7,10H,3,5-6H2;1H.
What are the key properties of 2,3,4a,5-tetrahydro-1H-quinolin-4-one;hydrochloride?
2,3,4a,5-tetrahydro-1H-quinolin-4-one;hydrochloride has a molecular weight of 185.65 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,5-tetrahydro-1H-quinolin-4-one;hydrochloride is sourced from PubChem (CID 141373544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).