1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide;hydrochloride

C10H11ClN2O2 — CID 87243954

IUPAC1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1=Cc2ccccc2[NH+]([O-])C1
InChIInChI=1S/C10H10N2O2.ClH/c11-10(13)8-5-7-3-1-2-4-9(7)12(14)6-8;/h1-5,12H,6H2,(H2,11,13);1H
InChIKeyZRPIGCGHDNBANE-UHFFFAOYSA-N
MW226.66 g/mol
LogP0.00
Rot. Bonds1

About 1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide;hydrochloride

1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide;hydrochloride (PubChem CID 87243954) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide;hydrochloride
PubChem CID87243954
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C1=Cc2ccccc2[NH+]([O-])C1
InChIInChI=1S/C10H10N2O2.ClH/c11-10(13)8-5-7-3-1-2-4-9(7)12(14)6-8;/h1-5,12H,6H2,(H2,11,13);1H
InChIKeyZRPIGCGHDNBANE-UHFFFAOYSA-N
XLogP0.00
TPSA70.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide;hydrochloride?
The IUPAC name of 1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide;hydrochloride (CID 87243954) is 1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide;hydrochloride?
The canonical SMILES for 1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide;hydrochloride is Cl.NC(=O)C1=Cc2ccccc2[NH+]([O-])C1.
What is the InChIKey of 1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide;hydrochloride?
The InChIKey is ZRPIGCGHDNBANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.ClH/c11-10(13)8-5-7-3-1-2-4-9(7)12(14)6-8;/h1-5,12H,6H2,(H2,11,13);1H.
What are the key properties of 1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide;hydrochloride?
1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide;hydrochloride has a molecular weight of 226.66 g/mol, XLogP of 0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide;hydrochloride is sourced from PubChem (CID 87243954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).