7,9a-dihydro-4H-pyrano[3,2-g]quinoline

C12H11NO — CID 57306578

IUPAC7,9a-dihydro-4H-pyrano[3,2-g]quinoline
SMILESC1=COC2=CC3N=CCC=C3C=C2C1
InChIInChI=1S/C12H11NO/c1-3-9-7-10-4-2-6-14-12(10)8-11(9)13-5-1/h2-3,5-8,11H,1,4H2
InChIKeyCMHVOVQDIVVENZ-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.51
Rot. Bonds

About 7,9a-dihydro-4H-pyrano[3,2-g]quinoline

7,9a-dihydro-4H-pyrano[3,2-g]quinoline (PubChem CID 57306578) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 7,9a-dihydro-4H-pyrano[3,2-g]quinoline.

Molecular Properties

Compound Name7,9a-dihydro-4H-pyrano[3,2-g]quinoline
PubChem CID57306578
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name7,9a-dihydro-4H-pyrano[3,2-g]quinoline
SMILESC1=COC2=CC3N=CCC=C3C=C2C1
InChIInChI=1S/C12H11NO/c1-3-9-7-10-4-2-6-14-12(10)8-11(9)13-5-1/h2-3,5-8,11H,1,4H2
InChIKeyCMHVOVQDIVVENZ-UHFFFAOYSA-N
XLogP2.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,9a-dihydro-4H-pyrano[3,2-g]quinoline 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 7,9a-dihydro-4H-pyrano[3,2-g]quinoline?
The IUPAC name of 7,9a-dihydro-4H-pyrano[3,2-g]quinoline (CID 57306578) is 7,9a-dihydro-4H-pyrano[3,2-g]quinoline.
What is the SMILES notation for 7,9a-dihydro-4H-pyrano[3,2-g]quinoline?
The canonical SMILES for 7,9a-dihydro-4H-pyrano[3,2-g]quinoline is C1=COC2=CC3N=CCC=C3C=C2C1.
What is the InChIKey of 7,9a-dihydro-4H-pyrano[3,2-g]quinoline?
The InChIKey is CMHVOVQDIVVENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-3-9-7-10-4-2-6-14-12(10)8-11(9)13-5-1/h2-3,5-8,11H,1,4H2.
What are the key properties of 7,9a-dihydro-4H-pyrano[3,2-g]quinoline?
7,9a-dihydro-4H-pyrano[3,2-g]quinoline has a molecular weight of 185.23 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9a-dihydro-4H-pyrano[3,2-g]quinoline is sourced from PubChem (CID 57306578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).