9'-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]

C22H21N3O2 — CID 139758445

IUPAC9'-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]
SMILESCOc1cnc2ccc3c(c2c1)N=CC1(O3)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C22H21N3O2/c1-21(2)16-7-5-6-8-18(16)25(3)22(21)13-24-20-15-11-14(26-4)12-23-17(15)9-10-19(20)27-22/h5-13H,1-4H3
InChIKeyAAQHDSRFAXTWFJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.46
Rot. Bonds1

About 9'-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]

9'-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine] (PubChem CID 139758445) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 9'-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine].

Molecular Properties

Compound Name9'-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]
PubChem CID139758445
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name9'-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]
SMILESCOc1cnc2ccc3c(c2c1)N=CC1(O3)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C22H21N3O2/c1-21(2)16-7-5-6-8-18(16)25(3)22(21)13-24-20-15-11-14(26-4)12-23-17(15)9-10-19(20)27-22/h5-13H,1-4H3
InChIKeyAAQHDSRFAXTWFJ-UHFFFAOYSA-N
XLogP4.46
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9'-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine] with MolForge

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Related Compounds

8-methoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
CID 4676098
(2S)-5-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]
CID 1206759
(2R)-1,3,3-trimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine]
CID 2246263
1,3,3-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]
CID 14793803
(2R)-1,3,3,7'-tetramethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazin-7-ium]
CID 139200847
(2R)-1',3',3'-trimethylspiro[benzo[g][1,4]benzoxazine-2,2'-indole]
CID 102054022
methyl 1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-8-carboxylate
CID 58338888
9-methoxy-1',3',3',5',6'-pentamethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
CID 14048240
5-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]
CID 19833354
1',3',3'-trimethyl-8-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
CID 18622933
1,2-di(ethoxy)ethane;8,9-di(ethoxy)-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole];bis(yttrium)
CID 134842896
1-O-ethyl 4-O-(1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-9-yl) butanedioate
CID 58309304

Frequently Asked Questions

What is the IUPAC name of 9'-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]?
The IUPAC name of 9'-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine] (CID 139758445) is 9'-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine].
What is the SMILES notation for 9'-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]?
The canonical SMILES for 9'-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine] is COc1cnc2ccc3c(c2c1)N=CC1(O3)N(C)c2ccccc2C1(C)C.
What is the InChIKey of 9'-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]?
The InChIKey is AAQHDSRFAXTWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-21(2)16-7-5-6-8-18(16)25(3)22(21)13-24-20-15-11-14(26-4)12-23-17(15)9-10-19(20)27-22/h5-13H,1-4H3.
What are the key properties of 9'-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]?
9'-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine] has a molecular weight of 359.43 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9'-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine] is sourced from PubChem (CID 139758445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).