(2R)-1',3',3',5,7,8-hexamethylspiro[1,4-benzoxazine-2,2'-indole]

C21H24N2O — CID 1399149

IUPAC(2R)-1',3',3',5,7,8-hexamethylspiro[1,4-benzoxazine-2,2'-indole]
SMILESCc1cc(C)c2c(c1C)O[C@]1(C=N2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C21H24N2O/c1-13-11-14(2)18-19(15(13)3)24-21(12-22-18)20(4,5)16-9-7-8-10-17(16)23(21)6/h7-12H,1-6H3/t21-/m0/s1
InChIKeyRVQVQQRVJJKSOF-NRFANRHFSA-N
MW320.44 g/mol
LogP4.83
Rot. Bonds

About (2R)-1',3',3',5,7,8-hexamethylspiro[1,4-benzoxazine-2,2'-indole]

(2R)-1',3',3',5,7,8-hexamethylspiro[1,4-benzoxazine-2,2'-indole] (PubChem CID 1399149) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (2R)-1',3',3',5,7,8-hexamethylspiro[1,4-benzoxazine-2,2'-indole].

Molecular Properties

Compound Name(2R)-1',3',3',5,7,8-hexamethylspiro[1,4-benzoxazine-2,2'-indole]
PubChem CID1399149
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(2R)-1',3',3',5,7,8-hexamethylspiro[1,4-benzoxazine-2,2'-indole]
SMILESCc1cc(C)c2c(c1C)O[C@]1(C=N2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C21H24N2O/c1-13-11-14(2)18-19(15(13)3)24-21(12-22-18)20(4,5)16-9-7-8-10-17(16)23(21)6/h7-12H,1-6H3/t21-/m0/s1
InChIKeyRVQVQQRVJJKSOF-NRFANRHFSA-N
XLogP4.83
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1,3,3-trimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine]
CID 2246263
(2R)-1',3',3'-trimethylspiro[benzo[g][1,4]benzoxazine-2,2'-indole]
CID 102054022
(2R)-1,3,3,7'-tetramethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazin-7-ium]
CID 139200847
5'-[(Z)-but-1-enyl]-1,3,3,6'-tetramethylspiro[indole-2,2'-pyrido[2,3-h][1,4]benzoxazine]
CID 166883447
5-(1,3-benzothiazol-2-yl)-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
CID 54312984
8-methoxy-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
CID 4676098
(3R)-1',3',3'-trimethyl-6-(4-phenylpiperazin-1-yl)spiro[benzo[f][1,4]benzoxazine-3,2'-indole]
CID 139067595
1,3,3-trimethylspiro[indole-2,3'-pyrido[3,4-f][1,4]benzoxazine]
CID 14793803
9'-methoxy-1,3,3-trimethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]
CID 139758445
1',3',3'-trimethyl-8-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
CID 18622933
ethane;6-ethenyl-N,N-diethyl-1',3',3'-trimethyl-5-[(Z)-prop-1-enyl]spiro[1,4-benzoxazine-2,2'-indole]-7-amine
CID 144690693
methyl 1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]-8-carboxylate
CID 58338888

Frequently Asked Questions

What is the IUPAC name of (2R)-1',3',3',5,7,8-hexamethylspiro[1,4-benzoxazine-2,2'-indole]?
The IUPAC name of (2R)-1',3',3',5,7,8-hexamethylspiro[1,4-benzoxazine-2,2'-indole] (CID 1399149) is (2R)-1',3',3',5,7,8-hexamethylspiro[1,4-benzoxazine-2,2'-indole].
What is the SMILES notation for (2R)-1',3',3',5,7,8-hexamethylspiro[1,4-benzoxazine-2,2'-indole]?
The canonical SMILES for (2R)-1',3',3',5,7,8-hexamethylspiro[1,4-benzoxazine-2,2'-indole] is Cc1cc(C)c2c(c1C)O[C@]1(C=N2)N(C)c2ccccc2C1(C)C.
What is the InChIKey of (2R)-1',3',3',5,7,8-hexamethylspiro[1,4-benzoxazine-2,2'-indole]?
The InChIKey is RVQVQQRVJJKSOF-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N2O/c1-13-11-14(2)18-19(15(13)3)24-21(12-22-18)20(4,5)16-9-7-8-10-17(16)23(21)6/h7-12H,1-6H3/t21-/m0/s1.
What are the key properties of (2R)-1',3',3',5,7,8-hexamethylspiro[1,4-benzoxazine-2,2'-indole]?
(2R)-1',3',3',5,7,8-hexamethylspiro[1,4-benzoxazine-2,2'-indole] has a molecular weight of 320.44 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1',3',3',5,7,8-hexamethylspiro[1,4-benzoxazine-2,2'-indole] is sourced from PubChem (CID 1399149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).