1,3,3-triethyl-5-fluorospiro[indole-2,2'-pyrido[4,3-h][1,4]benzoxazine]

C24H24FN3O — CID 19794997

IUPAC1,3,3-triethyl-5-fluorospiro[indole-2,2'-pyrido[4,3-h][1,4]benzoxazine]
SMILESCCN1c2ccc(F)cc2C(CC)(CC)C12C=Nc1ccc3ccncc3c1O2
InChIInChI=1S/C24H24FN3O/c1-4-23(5-2)19-13-17(25)8-10-21(19)28(6-3)24(23)15-27-20-9-7-16-11-12-26-14-18(16)22(20)29-24/h7-15H,4-6H2,1-3H3
InChIKeyQUUHHSUWOZGJMZ-UHFFFAOYSA-N
MW389.47 g/mol
LogP5.76
Rot. Bonds3

About 1,3,3-triethyl-5-fluorospiro[indole-2,2'-pyrido[4,3-h][1,4]benzoxazine]

1,3,3-triethyl-5-fluorospiro[indole-2,2'-pyrido[4,3-h][1,4]benzoxazine] (PubChem CID 19794997) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is 1,3,3-triethyl-5-fluorospiro[indole-2,2'-pyrido[4,3-h][1,4]benzoxazine].

Molecular Properties

Compound Name1,3,3-triethyl-5-fluorospiro[indole-2,2'-pyrido[4,3-h][1,4]benzoxazine]
PubChem CID19794997
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name1,3,3-triethyl-5-fluorospiro[indole-2,2'-pyrido[4,3-h][1,4]benzoxazine]
SMILESCCN1c2ccc(F)cc2C(CC)(CC)C12C=Nc1ccc3ccncc3c1O2
InChIInChI=1S/C24H24FN3O/c1-4-23(5-2)19-13-17(25)8-10-21(19)28(6-3)24(23)15-27-20-9-7-16-11-12-26-14-18(16)22(20)29-24/h7-15H,4-6H2,1-3H3
InChIKeyQUUHHSUWOZGJMZ-UHFFFAOYSA-N
XLogP5.76
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.47
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-triethyl-5-fluorospiro[indole-2,2'-pyrido[4,3-h][1,4]benzoxazine]?
The IUPAC name of 1,3,3-triethyl-5-fluorospiro[indole-2,2'-pyrido[4,3-h][1,4]benzoxazine] (CID 19794997) is 1,3,3-triethyl-5-fluorospiro[indole-2,2'-pyrido[4,3-h][1,4]benzoxazine].
What is the SMILES notation for 1,3,3-triethyl-5-fluorospiro[indole-2,2'-pyrido[4,3-h][1,4]benzoxazine]?
The canonical SMILES for 1,3,3-triethyl-5-fluorospiro[indole-2,2'-pyrido[4,3-h][1,4]benzoxazine] is CCN1c2ccc(F)cc2C(CC)(CC)C12C=Nc1ccc3ccncc3c1O2.
What is the InChIKey of 1,3,3-triethyl-5-fluorospiro[indole-2,2'-pyrido[4,3-h][1,4]benzoxazine]?
The InChIKey is QUUHHSUWOZGJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c1-4-23(5-2)19-13-17(25)8-10-21(19)28(6-3)24(23)15-27-20-9-7-16-11-12-26-14-18(16)22(20)29-24/h7-15H,4-6H2,1-3H3.
What are the key properties of 1,3,3-triethyl-5-fluorospiro[indole-2,2'-pyrido[4,3-h][1,4]benzoxazine]?
1,3,3-triethyl-5-fluorospiro[indole-2,2'-pyrido[4,3-h][1,4]benzoxazine] has a molecular weight of 389.47 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-triethyl-5-fluorospiro[indole-2,2'-pyrido[4,3-h][1,4]benzoxazine] is sourced from PubChem (CID 19794997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).