3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine

C12H12N2O — CID 54109780

IUPAC3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine
SMILESNc1c2c(nc3ccccc13)COCC2
InChIInChI=1S/C12H12N2O/c13-12-8-3-1-2-4-10(8)14-11-7-15-6-5-9(11)12/h1-4H,5-7H2,(H2,13,14)
InChIKeyNGGWBBQGQXTORY-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.89
Rot. Bonds

About 3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine

3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine (PubChem CID 54109780) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine.

Molecular Properties

Compound Name3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine
PubChem CID54109780
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine
SMILESNc1c2c(nc3ccccc13)COCC2
InChIInChI=1S/C12H12N2O/c13-12-8-3-1-2-4-10(8)14-11-7-15-6-5-9(11)12/h1-4H,5-7H2,(H2,13,14)
InChIKeyNGGWBBQGQXTORY-UHFFFAOYSA-N
XLogP1.89
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine?
The IUPAC name of 3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine (CID 54109780) is 3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine.
What is the SMILES notation for 3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine?
The canonical SMILES for 3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine is Nc1c2c(nc3ccccc13)COCC2.
What is the InChIKey of 3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine?
The InChIKey is NGGWBBQGQXTORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-12-8-3-1-2-4-10(8)14-11-7-15-6-5-9(11)12/h1-4H,5-7H2,(H2,13,14).
What are the key properties of 3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine?
3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine has a molecular weight of 200.24 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine is sourced from PubChem (CID 54109780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).