(4bR,10S)-8-methoxy-10-methyl-4b,10-dihydroisoindolo[1,2-b][1,3]benzoxazin-12-one

C17H15NO3 — CID 51688704

IUPAC(4bR,10S)-8-methoxy-10-methyl-4b,10-dihydroisoindolo[1,2-b][1,3]benzoxazin-12-one
SMILESCOc1ccc2c(c1)[C@H](C)N1C(=O)c3ccccc3[C@H]1O2
InChIInChI=1S/C17H15NO3/c1-10-14-9-11(20-2)7-8-15(14)21-17-13-6-4-3-5-12(13)16(19)18(10)17/h3-10,17H,1-2H3/t10-,17+/m0/s1
InChIKeyHMOLIADBYXWZCD-DYZYQPBXSA-N
MW281.31 g/mol
LogP3.30
Rot. Bonds1

About (4bR,10S)-8-methoxy-10-methyl-4b,10-dihydroisoindolo[1,2-b][1,3]benzoxazin-12-one

(4bR,10S)-8-methoxy-10-methyl-4b,10-dihydroisoindolo[1,2-b][1,3]benzoxazin-12-one (PubChem CID 51688704) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is (4bR,10S)-8-methoxy-10-methyl-4b,10-dihydroisoindolo[1,2-b][1,3]benzoxazin-12-one.

Molecular Properties

Compound Name(4bR,10S)-8-methoxy-10-methyl-4b,10-dihydroisoindolo[1,2-b][1,3]benzoxazin-12-one
PubChem CID51688704
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name(4bR,10S)-8-methoxy-10-methyl-4b,10-dihydroisoindolo[1,2-b][1,3]benzoxazin-12-one
SMILESCOc1ccc2c(c1)[C@H](C)N1C(=O)c3ccccc3[C@H]1O2
InChIInChI=1S/C17H15NO3/c1-10-14-9-11(20-2)7-8-15(14)21-17-13-6-4-3-5-12(13)16(19)18(10)17/h3-10,17H,1-2H3/t10-,17+/m0/s1
InChIKeyHMOLIADBYXWZCD-DYZYQPBXSA-N
XLogP3.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4bR,10S)-8-methoxy-10-methyl-4b,10-dihydroisoindolo[1,2-b][1,3]benzoxazin-12-one 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

(4bS,10R)-2-bromo-8-methoxy-10-methyl-4b,10-dihydroisoindolo[1,2-b][1,3]benzoxazin-12-one
CID 51688693
4-(9H-fluoren-9-yl)-7-methoxy-2-methyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid
CID 22057810
3-methoxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
CID 3653878
2-[(5R,10bR)-5-(2,5-dimethoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol
CID 136877898
2-[(5S,10bR)-5-(2,5-dimethoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol
CID 136877897
3-hydroxy-2-(4-methoxyphenyl)-3H-isoindol-1-one
CID 3688143
(5R,10bS)-5-(2-chlorophenyl)-9-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 100822871
(5S,11bS)-3-methoxy-5-methyl-11b-phenyl-5H-isoindolo[1,2-a]isoindol-7-one
CID 23244321
(5S,10bS)-9-methoxy-5-(4-methoxyphenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7389914
3-methoxy-6-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-ol
CID 86019296
(1S,8R)-4-methoxy-17-oxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13,15(19)-heptaene-16,18-dione
CID 10614452
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671

Frequently Asked Questions

What is the IUPAC name of (4bR,10S)-8-methoxy-10-methyl-4b,10-dihydroisoindolo[1,2-b][1,3]benzoxazin-12-one?
The IUPAC name of (4bR,10S)-8-methoxy-10-methyl-4b,10-dihydroisoindolo[1,2-b][1,3]benzoxazin-12-one (CID 51688704) is (4bR,10S)-8-methoxy-10-methyl-4b,10-dihydroisoindolo[1,2-b][1,3]benzoxazin-12-one.
What is the SMILES notation for (4bR,10S)-8-methoxy-10-methyl-4b,10-dihydroisoindolo[1,2-b][1,3]benzoxazin-12-one?
The canonical SMILES for (4bR,10S)-8-methoxy-10-methyl-4b,10-dihydroisoindolo[1,2-b][1,3]benzoxazin-12-one is COc1ccc2c(c1)[C@H](C)N1C(=O)c3ccccc3[C@H]1O2.
What is the InChIKey of (4bR,10S)-8-methoxy-10-methyl-4b,10-dihydroisoindolo[1,2-b][1,3]benzoxazin-12-one?
The InChIKey is HMOLIADBYXWZCD-DYZYQPBXSA-N. The full InChI is InChI=1S/C17H15NO3/c1-10-14-9-11(20-2)7-8-15(14)21-17-13-6-4-3-5-12(13)16(19)18(10)17/h3-10,17H,1-2H3/t10-,17+/m0/s1.
What are the key properties of (4bR,10S)-8-methoxy-10-methyl-4b,10-dihydroisoindolo[1,2-b][1,3]benzoxazin-12-one?
(4bR,10S)-8-methoxy-10-methyl-4b,10-dihydroisoindolo[1,2-b][1,3]benzoxazin-12-one has a molecular weight of 281.31 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR,10S)-8-methoxy-10-methyl-4b,10-dihydroisoindolo[1,2-b][1,3]benzoxazin-12-one is sourced from PubChem (CID 51688704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).