9-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine

C21H19NO2 — CID 59572375

IUPAC9-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine
SMILESCc1ccc(N2c3ccccc3Oc3ccoc32)c2c1CCCC2
InChIInChI=1S/C21H19NO2/c1-14-10-11-17(16-7-3-2-6-15(14)16)22-18-8-4-5-9-19(18)24-20-12-13-23-21(20)22/h4-5,8-13H,2-3,6-7H2,1H3
InChIKeyIQTNSDQDTBDUOK-UHFFFAOYSA-N
MW317.39 g/mol
LogP6.04
Rot. Bonds1

About 9-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine

9-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine (PubChem CID 59572375) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 9-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine.

Molecular Properties

Compound Name9-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine
PubChem CID59572375
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name9-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine
SMILESCc1ccc(N2c3ccccc3Oc3ccoc32)c2c1CCCC2
InChIInChI=1S/C21H19NO2/c1-14-10-11-17(16-7-3-2-6-15(14)16)22-18-8-4-5-9-19(18)24-20-12-13-23-21(20)22/h4-5,8-13H,2-3,6-7H2,1H3
InChIKeyIQTNSDQDTBDUOK-UHFFFAOYSA-N
XLogP6.04
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572243
10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572260
9-(4-Tert-butyl-2,6-dimethylphenyl)-3,6-dimethylfuro[3,4-b][1,4]benzoxazine
CID 59572292
9-(5-methyl-3,4-dihydro-2H-chromen-8-yl)furo[3,2-b][1,4]benzoselenazine
CID 59572317
10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572326
9-(4-Tert-butyl-2,6-dimethylphenyl)-3-methylfuro[3,4-b][1,4]benzoxazine
CID 59572358
9-(2,4,6-Trimethylphenyl)furo[3,4-b][1,4]benzoxazine
CID 59572366
6-(2-Methoxyphenyl)-2-methyl-[1]benzofuro[3,2-b][1,4]benzoxazine
CID 59572372
2-methyl-10-(2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572376
2,9-Dimethyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine
CID 59572379
9-(3,4-dihydro-2H-chromen-8-yl)-2-methylfuro[3,2-b][1,4]benzoxazine
CID 59572399
2-Methyl-6-(2-methylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine
CID 59572400

Frequently Asked Questions

What is the IUPAC name of 9-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine?
The IUPAC name of 9-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine (CID 59572375) is 9-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine.
What is the SMILES notation for 9-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine?
The canonical SMILES for 9-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine is Cc1ccc(N2c3ccccc3Oc3ccoc32)c2c1CCCC2.
What is the InChIKey of 9-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine?
The InChIKey is IQTNSDQDTBDUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-14-10-11-17(16-7-3-2-6-15(14)16)22-18-8-4-5-9-19(18)24-20-12-13-23-21(20)22/h4-5,8-13H,2-3,6-7H2,1H3.
What are the key properties of 9-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine?
9-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine has a molecular weight of 317.39 g/mol, XLogP of 6.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine is sourced from PubChem (CID 59572375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).