9,11-dimethyl-6,6a,7,12a-tetrahydrochromeno[4,3-b][1,4]benzoxazine

C17H17NO2 — CID 115825640

IUPAC9,11-dimethyl-6,6a,7,12a-tetrahydrochromeno[4,3-b][1,4]benzoxazine
SMILESCc1cc(C)c2c(c1)NC1COc3ccccc3C1O2
InChIInChI=1S/C17H17NO2/c1-10-7-11(2)16-13(8-10)18-14-9-19-15-6-4-3-5-12(15)17(14)20-16/h3-8,14,17-18H,9H2,1-2H3
InChIKeyQGQGTWKYJKGDJE-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.61
Rot. Bonds

About 9,11-dimethyl-6,6a,7,12a-tetrahydrochromeno[4,3-b][1,4]benzoxazine

9,11-dimethyl-6,6a,7,12a-tetrahydrochromeno[4,3-b][1,4]benzoxazine (PubChem CID 115825640) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 9,11-dimethyl-6,6a,7,12a-tetrahydrochromeno[4,3-b][1,4]benzoxazine.

Molecular Properties

Compound Name9,11-dimethyl-6,6a,7,12a-tetrahydrochromeno[4,3-b][1,4]benzoxazine
PubChem CID115825640
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name9,11-dimethyl-6,6a,7,12a-tetrahydrochromeno[4,3-b][1,4]benzoxazine
SMILESCc1cc(C)c2c(c1)NC1COc3ccccc3C1O2
InChIInChI=1S/C17H17NO2/c1-10-7-11(2)16-13(8-10)18-14-9-19-15-6-4-3-5-12(15)17(14)20-16/h3-8,14,17-18H,9H2,1-2H3
InChIKeyQGQGTWKYJKGDJE-UHFFFAOYSA-N
XLogP3.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9,11-dimethyl-6,6a,7,12a-tetrahydrochromeno[4,3-b][1,4]benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluorophenyl)-3,6,8-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 115996218
6,8-dimethyl-2-(2-methylbutan-2-yl)-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825626
3-ethyl-6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82229951
3a,4,5,10b-tetrahydro-3H-[1]benzoxepino[4,5-d][1,3]oxazol-2-one
CID 70394255
spiro[4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine-3,1'-cyclopentane]
CID 62517000
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 81005013
3,3-diethyl-4,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazine
CID 62519492
(4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride
CID 175798216
4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80835656
3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837220
2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylphenyl)methanone
CID 65350957
N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 45088771

Frequently Asked Questions

What is the IUPAC name of 9,11-dimethyl-6,6a,7,12a-tetrahydrochromeno[4,3-b][1,4]benzoxazine?
The IUPAC name of 9,11-dimethyl-6,6a,7,12a-tetrahydrochromeno[4,3-b][1,4]benzoxazine (CID 115825640) is 9,11-dimethyl-6,6a,7,12a-tetrahydrochromeno[4,3-b][1,4]benzoxazine.
What is the SMILES notation for 9,11-dimethyl-6,6a,7,12a-tetrahydrochromeno[4,3-b][1,4]benzoxazine?
The canonical SMILES for 9,11-dimethyl-6,6a,7,12a-tetrahydrochromeno[4,3-b][1,4]benzoxazine is Cc1cc(C)c2c(c1)NC1COc3ccccc3C1O2.
What is the InChIKey of 9,11-dimethyl-6,6a,7,12a-tetrahydrochromeno[4,3-b][1,4]benzoxazine?
The InChIKey is QGQGTWKYJKGDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-10-7-11(2)16-13(8-10)18-14-9-19-15-6-4-3-5-12(15)17(14)20-16/h3-8,14,17-18H,9H2,1-2H3.
What are the key properties of 9,11-dimethyl-6,6a,7,12a-tetrahydrochromeno[4,3-b][1,4]benzoxazine?
9,11-dimethyl-6,6a,7,12a-tetrahydrochromeno[4,3-b][1,4]benzoxazine has a molecular weight of 267.33 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-dimethyl-6,6a,7,12a-tetrahydrochromeno[4,3-b][1,4]benzoxazine is sourced from PubChem (CID 115825640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).