3-amino-3,4-dihydro-1H-quinolin-2-one;hydrochloride

C9H11ClN2O — CID 13499428

IUPAC3-amino-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCl.NC1Cc2ccccc2NC1=O
InChIInChI=1S/C9H10N2O.ClH/c10-7-5-6-3-1-2-4-8(6)11-9(7)12;/h1-4,7H,5,10H2,(H,11,12);1H
InChIKeyOKOGJVZTZMRXRG-UHFFFAOYSA-N
MW198.65 g/mol
LogP0.93
Rot. Bonds

About 3-amino-3,4-dihydro-1H-quinolin-2-one;hydrochloride

3-amino-3,4-dihydro-1H-quinolin-2-one;hydrochloride (PubChem CID 13499428) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-amino-3,4-dihydro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-3,4-dihydro-1H-quinolin-2-one;hydrochloride
PubChem CID13499428
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name3-amino-3,4-dihydro-1H-quinolin-2-one;hydrochloride
SMILESCl.NC1Cc2ccccc2NC1=O
InChIInChI=1S/C9H10N2O.ClH/c10-7-5-6-3-1-2-4-8(6)11-9(7)12;/h1-4,7H,5,10H2,(H,11,12);1H
InChIKeyOKOGJVZTZMRXRG-UHFFFAOYSA-N
XLogP0.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 3-amino-3,4-dihydro-1H-quinolin-2-one;hydrochloride (CID 13499428) is 3-amino-3,4-dihydro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 3-amino-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 3-amino-3,4-dihydro-1H-quinolin-2-one;hydrochloride is Cl.NC1Cc2ccccc2NC1=O.
What is the InChIKey of 3-amino-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
The InChIKey is OKOGJVZTZMRXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.ClH/c10-7-5-6-3-1-2-4-8(6)11-9(7)12;/h1-4,7H,5,10H2,(H,11,12);1H.
What are the key properties of 3-amino-3,4-dihydro-1H-quinolin-2-one;hydrochloride?
3-amino-3,4-dihydro-1H-quinolin-2-one;hydrochloride has a molecular weight of 198.65 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3,4-dihydro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 13499428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).