(2-formylquinolin-8-yl)carbamic acid

C11H8N2O3 — CID 89350844

IUPAC(2-formylquinolin-8-yl)carbamic acid
SMILESO=Cc1ccc2cccc(NC(=O)O)c2n1
InChIInChI=1S/C11H8N2O3/c14-6-8-5-4-7-2-1-3-9(10(7)12-8)13-11(15)16/h1-6,13H,(H,15,16)
InChIKeyMPANBMXYFUTZOD-UHFFFAOYSA-N
MW216.20 g/mol
LogP2.14
Rot. Bonds2

About (2-formylquinolin-8-yl)carbamic acid

(2-formylquinolin-8-yl)carbamic acid (PubChem CID 89350844) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is (2-formylquinolin-8-yl)carbamic acid.

Molecular Properties

Compound Name(2-formylquinolin-8-yl)carbamic acid
PubChem CID89350844
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name(2-formylquinolin-8-yl)carbamic acid
SMILESO=Cc1ccc2cccc(NC(=O)O)c2n1
InChIInChI=1S/C11H8N2O3/c14-6-8-5-4-7-2-1-3-9(10(7)12-8)13-11(15)16/h1-6,13H,(H,15,16)
InChIKeyMPANBMXYFUTZOD-UHFFFAOYSA-N
XLogP2.14
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-formylquinolin-8-yl)carbamic acid?
The IUPAC name of (2-formylquinolin-8-yl)carbamic acid (CID 89350844) is (2-formylquinolin-8-yl)carbamic acid.
What is the SMILES notation for (2-formylquinolin-8-yl)carbamic acid?
The canonical SMILES for (2-formylquinolin-8-yl)carbamic acid is O=Cc1ccc2cccc(NC(=O)O)c2n1.
What is the InChIKey of (2-formylquinolin-8-yl)carbamic acid?
The InChIKey is MPANBMXYFUTZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-6-8-5-4-7-2-1-3-9(10(7)12-8)13-11(15)16/h1-6,13H,(H,15,16).
What are the key properties of (2-formylquinolin-8-yl)carbamic acid?
(2-formylquinolin-8-yl)carbamic acid has a molecular weight of 216.20 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formylquinolin-8-yl)carbamic acid is sourced from PubChem (CID 89350844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).