(5-amino-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamic acid

C10H11N3O3 — CID 68850436

IUPAC(5-amino-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamic acid
SMILESNc1cccc2c1CC(NC(=O)O)C(=O)N2
InChIInChI=1S/C10H11N3O3/c11-6-2-1-3-7-5(6)4-8(9(14)12-7)13-10(15)16/h1-3,8,13H,4,11H2,(H,12,14)(H,15,16)
InChIKeyMYQAATUKIJKGIT-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.40
Rot. Bonds1

About (5-amino-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamic acid

(5-amino-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamic acid (PubChem CID 68850436) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is (5-amino-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamic acid.

Molecular Properties

Compound Name(5-amino-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamic acid
PubChem CID68850436
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name(5-amino-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamic acid
SMILESNc1cccc2c1CC(NC(=O)O)C(=O)N2
InChIInChI=1S/C10H11N3O3/c11-6-2-1-3-7-5(6)4-8(9(14)12-7)13-10(15)16/h1-3,8,13H,4,11H2,(H,12,14)(H,15,16)
InChIKeyMYQAATUKIJKGIT-UHFFFAOYSA-N
XLogP0.40
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (5-amino-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamic acid?
The IUPAC name of (5-amino-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamic acid (CID 68850436) is (5-amino-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamic acid.
What is the SMILES notation for (5-amino-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamic acid?
The canonical SMILES for (5-amino-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamic acid is Nc1cccc2c1CC(NC(=O)O)C(=O)N2.
What is the InChIKey of (5-amino-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamic acid?
The InChIKey is MYQAATUKIJKGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c11-6-2-1-3-7-5(6)4-8(9(14)12-7)13-10(15)16/h1-3,8,13H,4,11H2,(H,12,14)(H,15,16).
What are the key properties of (5-amino-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamic acid?
(5-amino-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamic acid has a molecular weight of 221.22 g/mol, XLogP of 0.40, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamic acid is sourced from PubChem (CID 68850436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).