methyl 7-methoxy-4-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxylate

C17H17NO4 — CID 134867191

IUPACmethyl 7-methoxy-4-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxylate
SMILESCOC(=O)N1OCc2cc(OC)ccc2C1c1ccccc1
InChIInChI=1S/C17H17NO4/c1-20-14-8-9-15-13(10-14)11-22-18(17(19)21-2)16(15)12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3
InChIKeyJORUZZXFSSUJFC-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.30
Rot. Bonds2

About methyl 7-methoxy-4-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxylate

methyl 7-methoxy-4-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxylate (PubChem CID 134867191) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 7-methoxy-4-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-4-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxylate
PubChem CID134867191
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl 7-methoxy-4-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxylate
SMILESCOC(=O)N1OCc2cc(OC)ccc2C1c1ccccc1
InChIInChI=1S/C17H17NO4/c1-20-14-8-9-15-13(10-14)11-22-18(17(19)21-2)16(15)12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3
InChIKeyJORUZZXFSSUJFC-UHFFFAOYSA-N
XLogP3.30
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 7-methoxy-4-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxylate 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

(6,7-dimethoxy-4-phenyl-1,4-dihydro-2,3-benzoxazin-3-yl)-phenylmethanone
CID 101451017
(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone
CID 110289173
(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone
CID 110289151
methyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67079072
ethyl 7-methoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110289304
methyl 2-(3-methoxyphenyl)-3-oxopyrrolidine-1-carboxylate
CID 11482053
4-[(7-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoic acid
CID 57422408
methyl 3-oxo-2-phenylazetidine-1-carboxylate
CID 15110746
5-methoxy-1-phenyl-1,3-dihydroinden-2-one
CID 14640420
(1R)-N-(2,4-dimethoxyphenyl)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92772045
(1S)-N-[(3-methoxyphenyl)methyl]-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 168865360
6-methoxy-1-phenyl-3,4-dihydro-1H-naphthalen-2-one
CID 10243928

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-4-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxylate?
The IUPAC name of methyl 7-methoxy-4-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxylate (CID 134867191) is methyl 7-methoxy-4-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxylate.
What is the SMILES notation for methyl 7-methoxy-4-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxylate?
The canonical SMILES for methyl 7-methoxy-4-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxylate is COC(=O)N1OCc2cc(OC)ccc2C1c1ccccc1.
What is the InChIKey of methyl 7-methoxy-4-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxylate?
The InChIKey is JORUZZXFSSUJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-20-14-8-9-15-13(10-14)11-22-18(17(19)21-2)16(15)12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3.
What are the key properties of methyl 7-methoxy-4-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxylate?
methyl 7-methoxy-4-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-4-phenyl-1,4-dihydro-2,3-benzoxazine-3-carboxylate is sourced from PubChem (CID 134867191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).