2,2-dimethyl-4,6-dihydro-3H-pyrano[3,2-c]quinolin-5-one

C14H15NO2 — CID 600051

IUPAC2,2-dimethyl-4,6-dihydro-3H-pyrano[3,2-c]quinolin-5-one
SMILESCC1(C)CCc2c(c3ccccc3[nH]c2=O)O1
InChIInChI=1S/C14H15NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeyVXYKYULZMGGKJT-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.63
Rot. Bonds

About 2,2-dimethyl-4,6-dihydro-3H-pyrano[3,2-c]quinolin-5-one

2,2-dimethyl-4,6-dihydro-3H-pyrano[3,2-c]quinolin-5-one (PubChem CID 600051) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2,2-dimethyl-4,6-dihydro-3H-pyrano[3,2-c]quinolin-5-one.

Molecular Properties

Compound Name2,2-dimethyl-4,6-dihydro-3H-pyrano[3,2-c]quinolin-5-one
PubChem CID600051
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2,2-dimethyl-4,6-dihydro-3H-pyrano[3,2-c]quinolin-5-one
SMILESCC1(C)CCc2c(c3ccccc3[nH]c2=O)O1
InChIInChI=1S/C14H15NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeyVXYKYULZMGGKJT-UHFFFAOYSA-N
XLogP2.63
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-4,6-dihydro-3H-pyrano[3,2-c]quinolin-5-one 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 2,2-dimethyl-4,6-dihydro-3H-pyrano[3,2-c]quinolin-5-one?
The IUPAC name of 2,2-dimethyl-4,6-dihydro-3H-pyrano[3,2-c]quinolin-5-one (CID 600051) is 2,2-dimethyl-4,6-dihydro-3H-pyrano[3,2-c]quinolin-5-one.
What is the SMILES notation for 2,2-dimethyl-4,6-dihydro-3H-pyrano[3,2-c]quinolin-5-one?
The canonical SMILES for 2,2-dimethyl-4,6-dihydro-3H-pyrano[3,2-c]quinolin-5-one is CC1(C)CCc2c(c3ccccc3[nH]c2=O)O1.
What is the InChIKey of 2,2-dimethyl-4,6-dihydro-3H-pyrano[3,2-c]quinolin-5-one?
The InChIKey is VXYKYULZMGGKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-6H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2,2-dimethyl-4,6-dihydro-3H-pyrano[3,2-c]quinolin-5-one?
2,2-dimethyl-4,6-dihydro-3H-pyrano[3,2-c]quinolin-5-one has a molecular weight of 229.28 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4,6-dihydro-3H-pyrano[3,2-c]quinolin-5-one is sourced from PubChem (CID 600051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).