5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrido[3,4-h][1,4]benzoxazine]

C21H18FN3O — CID 19794984

IUPAC5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrido[3,4-h][1,4]benzoxazine]
SMILESCN1c2ccc(F)cc2C(C)(C)C12C=Nc1ccc3cnccc3c1O2
InChIInChI=1S/C21H18FN3O/c1-20(2)16-10-14(22)5-7-18(16)25(3)21(20)12-24-17-6-4-13-11-23-9-8-15(13)19(17)26-21/h4-12H,1-3H3
InChIKeyCRTKMPHPHJEPQA-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.59
Rot. Bonds

About 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrido[3,4-h][1,4]benzoxazine]

5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrido[3,4-h][1,4]benzoxazine] (PubChem CID 19794984) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrido[3,4-h][1,4]benzoxazine].

Molecular Properties

Compound Name5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrido[3,4-h][1,4]benzoxazine]
PubChem CID19794984
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrido[3,4-h][1,4]benzoxazine]
SMILESCN1c2ccc(F)cc2C(C)(C)C12C=Nc1ccc3cnccc3c1O2
InChIInChI=1S/C21H18FN3O/c1-20(2)16-10-14(22)5-7-18(16)25(3)21(20)12-24-17-6-4-13-11-23-9-8-15(13)19(17)26-21/h4-12H,1-3H3
InChIKeyCRTKMPHPHJEPQA-UHFFFAOYSA-N
XLogP4.59
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrido[3,4-h][1,4]benzoxazine] with MolForge

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Related Compounds

2-[3-(5-Fluoro-1H-indol-3-yl)-propyl]-5-methoxy-1,2,3,4-tetrahydro-isoquinoline
CID 9840814
N-(3-(5-fluoro-1H-indol-3-yl)propyl)-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine
CID 11339067
N-(2-(5-fluoro-1H-indol-3-yl)ethyl)-N-propyl-2,3-dihydro-1H-pyrano[3,2-f]quinolin-2-amine
CID 11486499
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[2,4-dihydrochromene-3,4'-piperidine]
CID 10096191
2-[3-(5-fluoro-1H-indol-3-yl)propyl]-5-(111C)methoxy-3,4-dihydro-1H-isoquinoline
CID 44586246
[8-(2-ethylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] N,N-dimethylcarbamate
CID 155511718
[8-(2-methylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] N,N-diethylcarbamate
CID 155527033
[8-(2-Ethylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] acetate
CID 155553083
[8-(2-Methylquinolin-4-yl)-9-oxa-2-azatetracyclo[8.8.0.02,6.012,17]octadeca-1(18),3,5,7,10,12,14,16-octaen-7-yl] acetate
CID 155562680
3-Ethyl-1-(4-fluoro-2-methyl-phenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinoline
CID 9905717
1-(4-Fluoro-2-methyl-phenyl)-6-methoxy-3,4-dimethyl-1H-pyrrolo[3,2-c]quinoline
CID 9840636
1-(4-Fluoro-2-methyl-phenyl)-6-methoxy-3-methyl-1H-pyrrolo[3,2-c]quinoline
CID 9861877

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrido[3,4-h][1,4]benzoxazine]?
The IUPAC name of 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrido[3,4-h][1,4]benzoxazine] (CID 19794984) is 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrido[3,4-h][1,4]benzoxazine].
What is the SMILES notation for 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrido[3,4-h][1,4]benzoxazine]?
The canonical SMILES for 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrido[3,4-h][1,4]benzoxazine] is CN1c2ccc(F)cc2C(C)(C)C12C=Nc1ccc3cnccc3c1O2.
What is the InChIKey of 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrido[3,4-h][1,4]benzoxazine]?
The InChIKey is CRTKMPHPHJEPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c1-20(2)16-10-14(22)5-7-18(16)25(3)21(20)12-24-17-6-4-13-11-23-9-8-15(13)19(17)26-21/h4-12H,1-3H3.
What are the key properties of 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrido[3,4-h][1,4]benzoxazine]?
5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrido[3,4-h][1,4]benzoxazine] has a molecular weight of 347.39 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3,3-trimethylspiro[indole-2,2'-pyrido[3,4-h][1,4]benzoxazine] is sourced from PubChem (CID 19794984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).