1,6,8-trimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole

C20H21NO — CID 139261396

IUPAC1,6,8-trimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole
SMILESCc1cc(C)c2c(c1)cc1n2CCOC1(C)c1ccccc1
InChIInChI=1S/C20H21NO/c1-14-11-15(2)19-16(12-14)13-18-20(3,22-10-9-21(18)19)17-7-5-4-6-8-17/h4-8,11-13H,9-10H2,1-3H3
InChIKeyOFSTVDPNJZYXRB-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.55
Rot. Bonds1

About 1,6,8-trimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole

1,6,8-trimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole (PubChem CID 139261396) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1,6,8-trimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole.

Molecular Properties

Compound Name1,6,8-trimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole
PubChem CID139261396
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1,6,8-trimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole
SMILESCc1cc(C)c2c(c1)cc1n2CCOC1(C)c1ccccc1
InChIInChI=1S/C20H21NO/c1-14-11-15(2)19-16(12-14)13-18-20(3,22-10-9-21(18)19)17-7-5-4-6-8-17/h4-8,11-13H,9-10H2,1-3H3
InChIKeyOFSTVDPNJZYXRB-UHFFFAOYSA-N
XLogP4.55
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6,8-trimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole?
The IUPAC name of 1,6,8-trimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole (CID 139261396) is 1,6,8-trimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole.
What is the SMILES notation for 1,6,8-trimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole?
The canonical SMILES for 1,6,8-trimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole is Cc1cc(C)c2c(c1)cc1n2CCOC1(C)c1ccccc1.
What is the InChIKey of 1,6,8-trimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole?
The InChIKey is OFSTVDPNJZYXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-14-11-15(2)19-16(12-14)13-18-20(3,22-10-9-21(18)19)17-7-5-4-6-8-17/h4-8,11-13H,9-10H2,1-3H3.
What are the key properties of 1,6,8-trimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole?
1,6,8-trimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole has a molecular weight of 291.39 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,8-trimethyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole is sourced from PubChem (CID 139261396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).