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

C10H10N2O2 — CID 87243833

IUPAC1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide
SMILESNC(=O)C1=Cc2ccccc2[NH+]([O-])C1
InChIInChI=1S/C10H10N2O2/c11-10(13)8-5-7-3-1-2-4-9(7)12(14)6-8/h1-5,12H,6H2,(H2,11,13)
InChIKeyYLZVPKKVPFBWPE-UHFFFAOYSA-N
MW190.20 g/mol
LogP-0.42
Rot. Bonds1

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

1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide (PubChem CID 87243833) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide.

Molecular Properties

Compound Name1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide
PubChem CID87243833
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide
SMILESNC(=O)C1=Cc2ccccc2[NH+]([O-])C1
InChIInChI=1S/C10H10N2O2/c11-10(13)8-5-7-3-1-2-4-9(7)12(14)6-8/h1-5,12H,6H2,(H2,11,13)
InChIKeyYLZVPKKVPFBWPE-UHFFFAOYSA-N
XLogP-0.42
TPSA70.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.42
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?
The IUPAC name of 1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide (CID 87243833) is 1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide.
What is the SMILES notation for 1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide?
The canonical SMILES for 1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide is NC(=O)C1=Cc2ccccc2[NH+]([O-])C1.
What is the InChIKey of 1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide?
The InChIKey is YLZVPKKVPFBWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-10(13)8-5-7-3-1-2-4-9(7)12(14)6-8/h1-5,12H,6H2,(H2,11,13).
What are the key properties of 1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide?
1-oxido-1,2-dihydroquinolin-1-ium-3-carboxamide has a molecular weight of 190.20 g/mol, XLogP of -0.42, 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 is sourced from PubChem (CID 87243833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).