6-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile;hydrochloride

C10H12ClN3O — CID 91623815

IUPAC6-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1cc2c([nH]c1=O)CCC(N)C2
InChIInChI=1S/C10H11N3O.ClH/c11-5-7-3-6-4-8(12)1-2-9(6)13-10(7)14;/h3,8H,1-2,4,12H2,(H,13,14);1H
InChIKeyFXTHMGMSFITLIQ-UHFFFAOYSA-N
MW225.68 g/mol
LogP0.48
Rot. Bonds

About 6-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile;hydrochloride

6-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile;hydrochloride (PubChem CID 91623815) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 6-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name6-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile;hydrochloride
PubChem CID91623815
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name6-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile;hydrochloride
SMILESCl.N#Cc1cc2c([nH]c1=O)CCC(N)C2
InChIInChI=1S/C10H11N3O.ClH/c11-5-7-3-6-4-8(12)1-2-9(6)13-10(7)14;/h3,8H,1-2,4,12H2,(H,13,14);1H
InChIKeyFXTHMGMSFITLIQ-UHFFFAOYSA-N
XLogP0.48
TPSA82.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile;hydrochloride?
The IUPAC name of 6-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile;hydrochloride (CID 91623815) is 6-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile;hydrochloride.
What is the SMILES notation for 6-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile;hydrochloride?
The canonical SMILES for 6-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile;hydrochloride is Cl.N#Cc1cc2c([nH]c1=O)CCC(N)C2.
What is the InChIKey of 6-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile;hydrochloride?
The InChIKey is FXTHMGMSFITLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.ClH/c11-5-7-3-6-4-8(12)1-2-9(6)13-10(7)14;/h3,8H,1-2,4,12H2,(H,13,14);1H.
What are the key properties of 6-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile;hydrochloride?
6-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile;hydrochloride has a molecular weight of 225.68 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile;hydrochloride is sourced from PubChem (CID 91623815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).