4a,5-dihydro-3H-quinolin-4-one;hydrochloride

C9H10ClNO — CID 67450455

IUPAC4a,5-dihydro-3H-quinolin-4-one;hydrochloride
SMILESCl.O=C1CC=NC2=CC=CCC12
InChIInChI=1S/C9H9NO.ClH/c11-9-5-6-10-8-4-2-1-3-7(8)9;/h1-2,4,6-7H,3,5H2;1H
InChIKeyMDLRPCNKPLTOLD-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.91
Rot. Bonds

About 4a,5-dihydro-3H-quinolin-4-one;hydrochloride

4a,5-dihydro-3H-quinolin-4-one;hydrochloride (PubChem CID 67450455) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 4a,5-dihydro-3H-quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name4a,5-dihydro-3H-quinolin-4-one;hydrochloride
PubChem CID67450455
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name4a,5-dihydro-3H-quinolin-4-one;hydrochloride
SMILESCl.O=C1CC=NC2=CC=CCC12
InChIInChI=1S/C9H9NO.ClH/c11-9-5-6-10-8-4-2-1-3-7(8)9;/h1-2,4,6-7H,3,5H2;1H
InChIKeyMDLRPCNKPLTOLD-UHFFFAOYSA-N
XLogP1.91
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Quinoline-4,5-dione
CID 22372813
3,3a,5,6-Tetrahydroindol-4-one
CID 23161253
4a,6-dihydro-4H-isoquinolin-5-one
CID 56627727
3,4,5a,9a-Tetrahydro-1-benzazepin-5-one
CID 57194600
4a,5-dihydro-3H-quinolin-4-one
CID 67450456
4,4a-dihydro-3H-quinolin-5-one
CID 68843701
4a,5-dihydro-3H-quinolin-4-one;hydrobromide
CID 89676133
4a,5-dihydro-3H-quinolin-4-one;dihydrochloride
CID 89676136
2,4a-Dihydroquinoline-3,4-dione;hydrochloride
CID 143400699

Frequently Asked Questions

What is the IUPAC name of 4a,5-dihydro-3H-quinolin-4-one;hydrochloride?
The IUPAC name of 4a,5-dihydro-3H-quinolin-4-one;hydrochloride (CID 67450455) is 4a,5-dihydro-3H-quinolin-4-one;hydrochloride.
What is the SMILES notation for 4a,5-dihydro-3H-quinolin-4-one;hydrochloride?
The canonical SMILES for 4a,5-dihydro-3H-quinolin-4-one;hydrochloride is Cl.O=C1CC=NC2=CC=CCC12.
What is the InChIKey of 4a,5-dihydro-3H-quinolin-4-one;hydrochloride?
The InChIKey is MDLRPCNKPLTOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.ClH/c11-9-5-6-10-8-4-2-1-3-7(8)9;/h1-2,4,6-7H,3,5H2;1H.
What are the key properties of 4a,5-dihydro-3H-quinolin-4-one;hydrochloride?
4a,5-dihydro-3H-quinolin-4-one;hydrochloride has a molecular weight of 183.64 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5-dihydro-3H-quinolin-4-one;hydrochloride is sourced from PubChem (CID 67450455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).