2,2-dimethyl-4,6,8,9-tetrahydro-3H-pyrano[2,3-g]quinolin-7-one

C14H17NO2 — CID 67893320

IUPAC2,2-dimethyl-4,6,8,9-tetrahydro-3H-pyrano[2,3-g]quinolin-7-one
SMILESCC1(C)CCc2cc3c(cc2O1)CCC(=O)N3
InChIInChI=1S/C14H17NO2/c1-14(2)6-5-10-7-11-9(8-12(10)17-14)3-4-13(16)15-11/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyYBXBUUHJHYHRTG-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.67
Rot. Bonds

About 2,2-dimethyl-4,6,8,9-tetrahydro-3H-pyrano[2,3-g]quinolin-7-one

2,2-dimethyl-4,6,8,9-tetrahydro-3H-pyrano[2,3-g]quinolin-7-one (PubChem CID 67893320) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2,2-dimethyl-4,6,8,9-tetrahydro-3H-pyrano[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name2,2-dimethyl-4,6,8,9-tetrahydro-3H-pyrano[2,3-g]quinolin-7-one
PubChem CID67893320
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2,2-dimethyl-4,6,8,9-tetrahydro-3H-pyrano[2,3-g]quinolin-7-one
SMILESCC1(C)CCc2cc3c(cc2O1)CCC(=O)N3
InChIInChI=1S/C14H17NO2/c1-14(2)6-5-10-7-11-9(8-12(10)17-14)3-4-13(16)15-11/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyYBXBUUHJHYHRTG-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-4,6,8,9-tetrahydro-3H-pyrano[2,3-g]quinolin-7-one with MolForge

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Launch Full Analysis

Related Compounds

6-hydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbaldehyde
CID 20818420
7-amino-6-(4,4-dimethylpiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 62936875
6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 11769444
2,2,7-trimethyl-3,4-dihydrochromene-6-carboxylic acid
CID 117097203
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
7-chloro-6-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 171787942
2-(2,2-dimethyl-3,4-dihydrochromen-7-yl)propan-2-ol
CID 84685961
6-[(4,4-dimethylcycloheptyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 65083527
ethane;6-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 143131950
2,2-dimethyl-3,4-dihydrochromene-7-sulfonamide
CID 142779358
2,2-dimethyl-3,4-dihydrochromene-6-sulfonic acid
CID 87681776
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4,6,8,9-tetrahydro-3H-pyrano[2,3-g]quinolin-7-one?
The IUPAC name of 2,2-dimethyl-4,6,8,9-tetrahydro-3H-pyrano[2,3-g]quinolin-7-one (CID 67893320) is 2,2-dimethyl-4,6,8,9-tetrahydro-3H-pyrano[2,3-g]quinolin-7-one.
What is the SMILES notation for 2,2-dimethyl-4,6,8,9-tetrahydro-3H-pyrano[2,3-g]quinolin-7-one?
The canonical SMILES for 2,2-dimethyl-4,6,8,9-tetrahydro-3H-pyrano[2,3-g]quinolin-7-one is CC1(C)CCc2cc3c(cc2O1)CCC(=O)N3.
What is the InChIKey of 2,2-dimethyl-4,6,8,9-tetrahydro-3H-pyrano[2,3-g]quinolin-7-one?
The InChIKey is YBXBUUHJHYHRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2)6-5-10-7-11-9(8-12(10)17-14)3-4-13(16)15-11/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2,2-dimethyl-4,6,8,9-tetrahydro-3H-pyrano[2,3-g]quinolin-7-one?
2,2-dimethyl-4,6,8,9-tetrahydro-3H-pyrano[2,3-g]quinolin-7-one has a molecular weight of 231.29 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4,6,8,9-tetrahydro-3H-pyrano[2,3-g]quinolin-7-one is sourced from PubChem (CID 67893320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).