10-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine

C21H19NO3 — CID 59572906

IUPAC10-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine
SMILESCc1cc2c(o1)N(c1cccc3c1OCCC3)c1ccccc1CO2
InChIInChI=1S/C21H19NO3/c1-14-12-19-21(25-14)22(17-9-3-2-6-16(17)13-24-19)18-10-4-7-15-8-5-11-23-20(15)18/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3
InChIKeyKDTGZIAFCLMULP-UHFFFAOYSA-N
MW333.39 g/mol
LogP5.28
Rot. Bonds1

About 10-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine

10-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine (PubChem CID 59572906) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 10-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine.

Molecular Properties

Compound Name10-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine
PubChem CID59572906
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name10-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine
SMILESCc1cc2c(o1)N(c1cccc3c1OCCC3)c1ccccc1CO2
InChIInChI=1S/C21H19NO3/c1-14-12-19-21(25-14)22(17-9-3-2-6-16(17)13-24-19)18-10-4-7-15-8-5-11-23-20(15)18/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3
InChIKeyKDTGZIAFCLMULP-UHFFFAOYSA-N
XLogP5.28
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine with MolForge

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Related Compounds

5-(3,4-dihydro-2H-chromen-8-yl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine
CID 59573340
5-methyl-2-(2-methylphenyl)-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(15),3(7),5,11,13-pentaene
CID 59573739
10-(3,4-dihydro-2H-chromen-8-yl)-3-methylphenothiazine 5-oxide
CID 59572909
10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine;10-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one;2-(3,4-dihydro-2H-chromen-8-yl)-5,13-dimethyl-4-oxa-2-azatricyclo[9.4.0.03,7]pentadeca-1(11),3(7),5,12,14-pentaene;2,7-dimethyl-10-(2,4,6-trimethylphenyl)-4,5-dihydrofuro[2,3-b][1]benzazepine;2,7-dimethyl-10-(2,4,6-trimethylphenyl)furo[2,3-b][1]benzazepine;2,7-dimethyl-10-(2,4,6-trimethylphenyl)furo[3,2-c][1,2,5]benzotriazepine
CID 158635382
6-(3,4-dihydro-2H-chromen-8-yl)-2,9-dimethyl-[1]benzofuro[3,2-b][1,4]benzothiazine
CID 59572257
2,7-dimethyl-10-(2,4,6-trimethylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572870
10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572326
3,4-dihydro-2H-chromene-8-thiol
CID 123990330
2,6-dimethyl-9-(5,6,7,8-tetrahydronaphthalen-1-yl)-4H-furo[2,3-b]quinoline
CID 59572310
8-methyl-3,4-dihydro-2H-chromene;1,2,3,5-tetramethylbenzene
CID 158337388
10-(2-methoxyphenyl)-2-methyl-4,5-dihydrofuro[2,3-b][1]benzazepine
CID 59572816
3,4-dihydro-2H-chromene;ethane
CID 91076984

Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine?
The IUPAC name of 10-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine (CID 59572906) is 10-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine.
What is the SMILES notation for 10-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine?
The canonical SMILES for 10-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine is Cc1cc2c(o1)N(c1cccc3c1OCCC3)c1ccccc1CO2.
What is the InChIKey of 10-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine?
The InChIKey is KDTGZIAFCLMULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-14-12-19-21(25-14)22(17-9-3-2-6-16(17)13-24-19)18-10-4-7-15-8-5-11-23-20(15)18/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3.
What are the key properties of 10-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine?
10-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine has a molecular weight of 333.39 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-dihydro-2H-chromen-8-yl)-2-methyl-5H-furo[2,3-b][4,1]benzoxazepine is sourced from PubChem (CID 59572906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).