9-amino-1,6-dimethyl-2,3-dihydro-1H-pyrano[2,3-c]quinolin-5-one

C14H16N2O2 — CID 167211372

IUPAC9-amino-1,6-dimethyl-2,3-dihydro-1H-pyrano[2,3-c]quinolin-5-one
SMILESCC1CCOc2c1c1cc(N)ccc1n(C)c2=O
InChIInChI=1S/C14H16N2O2/c1-8-5-6-18-13-12(8)10-7-9(15)3-4-11(10)16(2)14(13)17/h3-4,7-8H,5-6,15H2,1-2H3
InChIKeyCCMHYBGEYKNRRL-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.01
Rot. Bonds

About 9-amino-1,6-dimethyl-2,3-dihydro-1H-pyrano[2,3-c]quinolin-5-one

9-amino-1,6-dimethyl-2,3-dihydro-1H-pyrano[2,3-c]quinolin-5-one (PubChem CID 167211372) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 9-amino-1,6-dimethyl-2,3-dihydro-1H-pyrano[2,3-c]quinolin-5-one.

Molecular Properties

Compound Name9-amino-1,6-dimethyl-2,3-dihydro-1H-pyrano[2,3-c]quinolin-5-one
PubChem CID167211372
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name9-amino-1,6-dimethyl-2,3-dihydro-1H-pyrano[2,3-c]quinolin-5-one
SMILESCC1CCOc2c1c1cc(N)ccc1n(C)c2=O
InChIInChI=1S/C14H16N2O2/c1-8-5-6-18-13-12(8)10-7-9(15)3-4-11(10)16(2)14(13)17/h3-4,7-8H,5-6,15H2,1-2H3
InChIKeyCCMHYBGEYKNRRL-UHFFFAOYSA-N
XLogP2.01
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-amino-1,6-dimethyl-2,3-dihydro-1H-pyrano[2,3-c]quinolin-5-one?
The IUPAC name of 9-amino-1,6-dimethyl-2,3-dihydro-1H-pyrano[2,3-c]quinolin-5-one (CID 167211372) is 9-amino-1,6-dimethyl-2,3-dihydro-1H-pyrano[2,3-c]quinolin-5-one.
What is the SMILES notation for 9-amino-1,6-dimethyl-2,3-dihydro-1H-pyrano[2,3-c]quinolin-5-one?
The canonical SMILES for 9-amino-1,6-dimethyl-2,3-dihydro-1H-pyrano[2,3-c]quinolin-5-one is CC1CCOc2c1c1cc(N)ccc1n(C)c2=O.
What is the InChIKey of 9-amino-1,6-dimethyl-2,3-dihydro-1H-pyrano[2,3-c]quinolin-5-one?
The InChIKey is CCMHYBGEYKNRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8-5-6-18-13-12(8)10-7-9(15)3-4-11(10)16(2)14(13)17/h3-4,7-8H,5-6,15H2,1-2H3.
What are the key properties of 9-amino-1,6-dimethyl-2,3-dihydro-1H-pyrano[2,3-c]quinolin-5-one?
9-amino-1,6-dimethyl-2,3-dihydro-1H-pyrano[2,3-c]quinolin-5-one has a molecular weight of 244.29 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-1,6-dimethyl-2,3-dihydro-1H-pyrano[2,3-c]quinolin-5-one is sourced from PubChem (CID 167211372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).