2,2,6-Trimethyl-2,3,4,6-tetrahydro-5H-pyrano[3,2-c]quinolin-5-one

C15H17NO2 — CID 608293

IUPAC2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
SMILESCC1(CCC2=C(O1)C3=CC=CC=C3N(C2=O)C)C
InChIInChI=1S/C15H17NO2/c1-15(2)9-8-11-13(18-15)10-6-4-5-7-12(10)16(3)14(11)17/h4-7H,8-9H2,1-3H3
InChIKeyQKYGYGWDLFBXPC-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.20
Rot. Bonds

About 2,2,6-Trimethyl-2,3,4,6-tetrahydro-5H-pyrano[3,2-c]quinolin-5-one

2,2,6-Trimethyl-2,3,4,6-tetrahydro-5H-pyrano[3,2-c]quinolin-5-one (PubChem CID 608293) has the molecular formula C15H17NO2 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one.

Molecular Properties

Compound Name2,2,6-Trimethyl-2,3,4,6-tetrahydro-5H-pyrano[3,2-c]quinolin-5-one
PubChem CID608293
Molecular FormulaC15H17NO2
Molecular Weight243.30 g/mol
Exact Mass243.13
IUPAC Name2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
SMILESCC1(CCC2=C(O1)C3=CC=CC=C3N(C2=O)C)C
InChIInChI=1S/C15H17NO2/c1-15(2)9-8-11-13(18-15)10-6-4-5-7-12(10)16(3)14(11)17/h4-7H,8-9H2,1-3H3
InChIKeyQKYGYGWDLFBXPC-UHFFFAOYSA-N
XLogP2.20
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity411

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-methyl-2-quinolone
CID 182073
(S)-Edulinine
CID 356087
Flindersine
CID 68230
N-Methylflindersine
CID 72819
(+)-2,6-Dihydro-2,6-dimethyl-2-(4-methyl-3-penten-1-yl)-5H-pyrano[3,2-c]quinolin-5-one
CID 5315426
Simulenoline
CID 5321316
N-Methylschinifoline
CID 101652163
2,2,6-Trimethyl-3,4,5,6-tetrahydro-2H-pyrano[3,2-c]quinoline-5-one, 2
CID 57340431
Orijanone
CID 10778640
N-metilatanina
CID 15460082
Almein
CID 183727
Benzosimuline
CID 5321951

Frequently Asked Questions

What is the IUPAC name of 2,2,6-Trimethyl-2,3,4,6-tetrahydro-5H-pyrano[3,2-c]quinolin-5-one?
The IUPAC name of 2,2,6-Trimethyl-2,3,4,6-tetrahydro-5H-pyrano[3,2-c]quinolin-5-one (CID 608293) is 2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one.
What is the SMILES notation for 2,2,6-Trimethyl-2,3,4,6-tetrahydro-5H-pyrano[3,2-c]quinolin-5-one?
The canonical SMILES for 2,2,6-Trimethyl-2,3,4,6-tetrahydro-5H-pyrano[3,2-c]quinolin-5-one is CC1(CCC2=C(O1)C3=CC=CC=C3N(C2=O)C)C.
What is the InChIKey of 2,2,6-Trimethyl-2,3,4,6-tetrahydro-5H-pyrano[3,2-c]quinolin-5-one?
The InChIKey is QKYGYGWDLFBXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-15(2)9-8-11-13(18-15)10-6-4-5-7-12(10)16(3)14(11)17/h4-7H,8-9H2,1-3H3.
What are the key properties of 2,2,6-Trimethyl-2,3,4,6-tetrahydro-5H-pyrano[3,2-c]quinolin-5-one?
2,2,6-Trimethyl-2,3,4,6-tetrahydro-5H-pyrano[3,2-c]quinolin-5-one has a molecular weight of 243.30 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-Trimethyl-2,3,4,6-tetrahydro-5H-pyrano[3,2-c]quinolin-5-one is sourced from PubChem (CID 608293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).