(4-aminoquinolin-2-yl) formate

C10H8N2O2 — CID 140883773

IUPAC(4-aminoquinolin-2-yl) formate
SMILESNc1cc(OC=O)nc2ccccc12
InChIInChI=1S/C10H8N2O2/c11-8-5-10(14-6-13)12-9-4-2-1-3-7(8)9/h1-6H,(H2,11,12)
InChIKeyQCRGRFOULBLPEW-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.35
Rot. Bonds2

About (4-aminoquinolin-2-yl) formate

(4-aminoquinolin-2-yl) formate (PubChem CID 140883773) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is (4-aminoquinolin-2-yl) formate.

Molecular Properties

Compound Name(4-aminoquinolin-2-yl) formate
PubChem CID140883773
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name(4-aminoquinolin-2-yl) formate
SMILESNc1cc(OC=O)nc2ccccc12
InChIInChI=1S/C10H8N2O2/c11-8-5-10(14-6-13)12-9-4-2-1-3-7(8)9/h1-6H,(H2,11,12)
InChIKeyQCRGRFOULBLPEW-UHFFFAOYSA-N
XLogP1.35
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxyquinolin-4-amine
CID 158312324
2-methoxyquinolin-4-amine;hydrochloride
CID 126782028
2-methylquinolin-4-amine
CID 162035180
2-chloroquinolin-4-amine;hydrochloride
CID 71627055
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
2-phenylquinolin-4-amine;hydrochloride
CID 134690731
2-phenylquinolin-4-amine;hydrate
CID 51057793
N-(2-aminoquinolin-4-yl)formamide
CID 87318709
2-(methoxymethyl)quinolin-4-amine
CID 62320068
O-(4-methylquinolin-2-yl)hydroxylamine
CID 121366650
acridin-9-amine;λ2-plumbane
CID 173496858
2-(2-phenoxyphenyl)quinolin-4-amine
CID 175084364

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinolin-2-yl) formate?
The IUPAC name of (4-aminoquinolin-2-yl) formate (CID 140883773) is (4-aminoquinolin-2-yl) formate.
What is the SMILES notation for (4-aminoquinolin-2-yl) formate?
The canonical SMILES for (4-aminoquinolin-2-yl) formate is Nc1cc(OC=O)nc2ccccc12.
What is the InChIKey of (4-aminoquinolin-2-yl) formate?
The InChIKey is QCRGRFOULBLPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-8-5-10(14-6-13)12-9-4-2-1-3-7(8)9/h1-6H,(H2,11,12).
What are the key properties of (4-aminoquinolin-2-yl) formate?
(4-aminoquinolin-2-yl) formate has a molecular weight of 188.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinolin-2-yl) formate is sourced from PubChem (CID 140883773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).