2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine

C26H18FN3O — CID 154574354

IUPAC2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine
SMILESCc1ccc2c(c1)N=Cc1cc3cc(-n4ccc5cc(C)c(F)cc54)ccc3nc1O2
InChIInChI=1S/C26H18FN3O/c1-15-3-6-25-23(9-15)28-14-19-11-18-12-20(4-5-22(18)29-26(19)31-25)30-8-7-17-10-16(2)21(27)13-24(17)30/h3-14H,1-2H3
InChIKeyRIWKXFGXBMJVPQ-UHFFFAOYSA-N
MW407.45 g/mol
LogP6.79
Rot. Bonds1

About 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine

2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine (PubChem CID 154574354) has the molecular formula C26H18FN3O and a molecular weight of 407.45 g/mol. Its IUPAC name is 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine.

Molecular Properties

Compound Name2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine
PubChem CID154574354
Molecular FormulaC26H18FN3O
Molecular Weight407.45 g/mol
Exact Mass407.14
IUPAC Name2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine
SMILESCc1ccc2c(c1)N=Cc1cc3cc(-n4ccc5cc(C)c(F)cc54)ccc3nc1O2
InChIInChI=1S/C26H18FN3O/c1-15-3-6-25-23(9-15)28-14-19-11-18-12-20(4-5-22(18)29-26(19)31-25)30-8-7-17-10-16(2)21(27)13-24(17)30/h3-14H,1-2H3
InChIKeyRIWKXFGXBMJVPQ-UHFFFAOYSA-N
XLogP6.79
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.45
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate
CID 135121370
2-methoxy-5-[(Z)-2-(1-methylindol-5-yl)ethenyl]aniline
CID 25050478
3-[4-[3-(4-Fluorophenyl)pyrazin-2-yl]oxyphenyl]-1-methylpyrrolo[3,2-b]quinoline
CID 118707958
3-Ethyl-9-methoxy-7-phenylpyrrolo[3,2-f]quinoline
CID 122192617
[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
2-Methoxy-4-[1-(1-methylindol-5-yl)ethenyl]quinoline
CID 155523080
(8-quinolin-8-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 155523420
[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-Quinolin-8-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 155551157
[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-Isoquinolin-5-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 155553223
[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

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine?
The IUPAC name of 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine (CID 154574354) is 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine.
What is the SMILES notation for 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine?
The canonical SMILES for 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine is Cc1ccc2c(c1)N=Cc1cc3cc(-n4ccc5cc(C)c(F)cc54)ccc3nc1O2.
What is the InChIKey of 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine?
The InChIKey is RIWKXFGXBMJVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN3O/c1-15-3-6-25-23(9-15)28-14-19-11-18-12-20(4-5-22(18)29-26(19)31-25)30-8-7-17-10-16(2)21(27)13-24(17)30/h3-14H,1-2H3.
What are the key properties of 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine?
2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine has a molecular weight of 407.45 g/mol, XLogP of 6.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-5-methylindol-1-yl)-9-methylquinolino[2,3-b][1,5]benzoxazepine is sourced from PubChem (CID 154574354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).