1,3,3,4,5-pentamethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]

C23H23N3O — CID 6618695

IUPAC1,3,3,4,5-pentamethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]
SMILESCc1ccc2c(c1C)C(C)(C)C1(C=Nc3c(ccc4ncccc34)O1)N2C
InChIInChI=1S/C23H23N3O/c1-14-8-10-18-20(15(14)2)22(3,4)23(26(18)5)13-25-21-16-7-6-12-24-17(16)9-11-19(21)27-23/h6-13H,1-5H3
InChIKeyZDHIKSOKXUQHKB-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.07
Rot. Bonds

About 1,3,3,4,5-pentamethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]

1,3,3,4,5-pentamethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine] (PubChem CID 6618695) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 1,3,3,4,5-pentamethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine].

Molecular Properties

Compound Name1,3,3,4,5-pentamethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]
PubChem CID6618695
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name1,3,3,4,5-pentamethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]
SMILESCc1ccc2c(c1C)C(C)(C)C1(C=Nc3c(ccc4ncccc34)O1)N2C
InChIInChI=1S/C23H23N3O/c1-14-8-10-18-20(15(14)2)22(3,4)23(26(18)5)13-25-21-16-7-6-12-24-17(16)9-11-19(21)27-23/h6-13H,1-5H3
InChIKeyZDHIKSOKXUQHKB-UHFFFAOYSA-N
XLogP5.07
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,5-pentamethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]?
The IUPAC name of 1,3,3,4,5-pentamethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine] (CID 6618695) is 1,3,3,4,5-pentamethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine].
What is the SMILES notation for 1,3,3,4,5-pentamethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]?
The canonical SMILES for 1,3,3,4,5-pentamethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine] is Cc1ccc2c(c1C)C(C)(C)C1(C=Nc3c(ccc4ncccc34)O1)N2C.
What is the InChIKey of 1,3,3,4,5-pentamethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]?
The InChIKey is ZDHIKSOKXUQHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-14-8-10-18-20(15(14)2)22(3,4)23(26(18)5)13-25-21-16-7-6-12-24-17(16)9-11-19(21)27-23/h6-13H,1-5H3.
What are the key properties of 1,3,3,4,5-pentamethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine]?
1,3,3,4,5-pentamethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine] has a molecular weight of 357.46 g/mol, XLogP of 5.07, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,5-pentamethylspiro[indole-2,3'-pyrido[3,2-f][1,4]benzoxazine] is sourced from PubChem (CID 6618695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).