3-ethyl-1,3,6-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]

C23H23N3O — CID 57033925

IUPAC3-ethyl-1,3,6-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]
SMILESCCC1(C)c2ccc(C)cc2N(C)C12C=Nc1c(ccc3ccncc13)O2
InChIInChI=1S/C23H23N3O/c1-5-22(3)18-8-6-15(2)12-19(18)26(4)23(22)14-25-21-17-13-24-11-10-16(17)7-9-20(21)27-23/h6-14H,5H2,1-4H3
InChIKeyFIRXWMDSIUZZFE-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.15
Rot. Bonds1

About 3-ethyl-1,3,6-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]

3-ethyl-1,3,6-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine] (PubChem CID 57033925) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-ethyl-1,3,6-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine].

Molecular Properties

Compound Name3-ethyl-1,3,6-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]
PubChem CID57033925
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name3-ethyl-1,3,6-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]
SMILESCCC1(C)c2ccc(C)cc2N(C)C12C=Nc1c(ccc3ccncc13)O2
InChIInChI=1S/C23H23N3O/c1-5-22(3)18-8-6-15(2)12-19(18)26(4)23(22)14-25-21-17-13-24-11-10-16(17)7-9-20(21)27-23/h6-14H,5H2,1-4H3
InChIKeyFIRXWMDSIUZZFE-UHFFFAOYSA-N
XLogP5.15
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,3-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]
CID 14793803
1-dodecyl-3,3,5-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]
CID 22372939
5-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]
CID 19833354
1-hexyl-5-methoxy-3,3-dimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]
CID 22372946
5-chloro-1,3,3-trimethylspiro[indole-2,3'-pyrido[4,3-f][1,4]benzoxazine]
CID 68534586
1-hexyl-3,3,4,5-tetramethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]
CID 19833333
1-(2-cyclohexylethyl)-3,3-dimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]
CID 139835024
6'-(bromomethyl)-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
CID 44540727
(2R)-1,3,3-trimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine]
CID 2246263
1-O-ethyl 4-O-(1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-yl) butanedioate
CID 58309304
7-chloro-1,3,3-trimethylspiro[indole-2,3'-pyrido[4,3-f][1,4]benzoxazine]
CID 68529493
1,1,3-trimethylspiro[benzo[e]indole-2,3'-benzo[f][1,4]benzoxazine]
CID 23238742

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,3,6-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]?
The IUPAC name of 3-ethyl-1,3,6-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine] (CID 57033925) is 3-ethyl-1,3,6-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine].
What is the SMILES notation for 3-ethyl-1,3,6-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]?
The canonical SMILES for 3-ethyl-1,3,6-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine] is CCC1(C)c2ccc(C)cc2N(C)C12C=Nc1c(ccc3ccncc13)O2.
What is the InChIKey of 3-ethyl-1,3,6-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]?
The InChIKey is FIRXWMDSIUZZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-5-22(3)18-8-6-15(2)12-19(18)26(4)23(22)14-25-21-17-13-24-11-10-16(17)7-9-20(21)27-23/h6-14H,5H2,1-4H3.
What are the key properties of 3-ethyl-1,3,6-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]?
3-ethyl-1,3,6-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine] has a molecular weight of 357.46 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3,6-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine] is sourced from PubChem (CID 57033925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).