2-oxo-3,4,4a,8a-tetrahydro-1H-quinoline-3-carboxamide

C10H12N2O2 — CID 91534616

IUPAC2-oxo-3,4,4a,8a-tetrahydro-1H-quinoline-3-carboxamide
SMILESNC(=O)C1CC2C=CC=CC2NC1=O
InChIInChI=1S/C10H12N2O2/c11-9(13)7-5-6-3-1-2-4-8(6)12-10(7)14/h1-4,6-8H,5H2,(H2,11,13)(H,12,14)
InChIKeyAXNKCNLIFKORSS-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.28
Rot. Bonds1

About 2-oxo-3,4,4a,8a-tetrahydro-1H-quinoline-3-carboxamide

2-oxo-3,4,4a,8a-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 91534616) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-oxo-3,4,4a,8a-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-oxo-3,4,4a,8a-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID91534616
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-oxo-3,4,4a,8a-tetrahydro-1H-quinoline-3-carboxamide
SMILESNC(=O)C1CC2C=CC=CC2NC1=O
InChIInChI=1S/C10H12N2O2/c11-9(13)7-5-6-3-1-2-4-8(6)12-10(7)14/h1-4,6-8H,5H2,(H2,11,13)(H,12,14)
InChIKeyAXNKCNLIFKORSS-UHFFFAOYSA-N
XLogP-0.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3,4,4a,8a-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 2-oxo-3,4,4a,8a-tetrahydro-1H-quinoline-3-carboxamide (CID 91534616) is 2-oxo-3,4,4a,8a-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-oxo-3,4,4a,8a-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-oxo-3,4,4a,8a-tetrahydro-1H-quinoline-3-carboxamide is NC(=O)C1CC2C=CC=CC2NC1=O.
What is the InChIKey of 2-oxo-3,4,4a,8a-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is AXNKCNLIFKORSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-9(13)7-5-6-3-1-2-4-8(6)12-10(7)14/h1-4,6-8H,5H2,(H2,11,13)(H,12,14).
What are the key properties of 2-oxo-3,4,4a,8a-tetrahydro-1H-quinoline-3-carboxamide?
2-oxo-3,4,4a,8a-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 192.22 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3,4,4a,8a-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 91534616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).