2'-fluoro-6-methoxy-8'-methylspiro[3H-indene-2,12'-indolo[1,2-b]isoquinoline]-1,6'-dione

C26H18FNO3 — CID 172635644

IUPAC2'-fluoro-6-methoxy-8'-methylspiro[3H-indene-2,12'-indolo[1,2-b]isoquinoline]-1,6'-dione
SMILESCOc1ccc2c(c1)C(=O)C1(C2)c2cc(F)ccc2-n2c1cc1ccc(C)cc1c2=O
InChIInChI=1S/C26H18FNO3/c1-14-3-4-15-10-23-26(13-16-5-7-18(31-2)12-19(16)24(26)29)21-11-17(27)6-8-22(21)28(23)25(30)20(15)9-14/h3-12H,13H2,1-2H3
InChIKeyWDNVMPLBWJMEAH-UHFFFAOYSA-N
MW411.43 g/mol
LogP4.49
Rot. Bonds1

About 2'-fluoro-6-methoxy-8'-methylspiro[3H-indene-2,12'-indolo[1,2-b]isoquinoline]-1,6'-dione

2'-fluoro-6-methoxy-8'-methylspiro[3H-indene-2,12'-indolo[1,2-b]isoquinoline]-1,6'-dione (PubChem CID 172635644) has the molecular formula C26H18FNO3 and a molecular weight of 411.43 g/mol. Its IUPAC name is 2'-fluoro-6-methoxy-8'-methylspiro[3H-indene-2,12'-indolo[1,2-b]isoquinoline]-1,6'-dione.

Molecular Properties

Compound Name2'-fluoro-6-methoxy-8'-methylspiro[3H-indene-2,12'-indolo[1,2-b]isoquinoline]-1,6'-dione
PubChem CID172635644
Molecular FormulaC26H18FNO3
Molecular Weight411.43 g/mol
Exact Mass411.13
IUPAC Name2'-fluoro-6-methoxy-8'-methylspiro[3H-indene-2,12'-indolo[1,2-b]isoquinoline]-1,6'-dione
SMILESCOc1ccc2c(c1)C(=O)C1(C2)c2cc(F)ccc2-n2c1cc1ccc(C)cc1c2=O
InChIInChI=1S/C26H18FNO3/c1-14-3-4-15-10-23-26(13-16-5-7-18(31-2)12-19(16)24(26)29)21-11-17(27)6-8-22(21)28(23)25(30)20(15)9-14/h3-12H,13H2,1-2H3
InChIKeyWDNVMPLBWJMEAH-UHFFFAOYSA-N
XLogP4.49
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2'-fluoro-6-methoxy-8'-methylspiro[3H-indene-2,12'-indolo[1,2-b]isoquinoline]-1,6'-dione with MolForge

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Related Compounds

5-(4-Methoxyphenyl)-1-[(4-methylphenyl)methyl]indole-2,3-dione
CID 141372241
5-(4-Methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione
CID 141372248
1-[(4-Fluorophenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione
CID 141372281
5-(4-Methoxyphenyl)-1-(naphthalen-2-ylmethyl)indole-2,3-dione
CID 145990806
2-(2-Ethylphenyl)-5-methoxybenzo[f]isoindole-1,3-dione
CID 155553921
2-[2-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2,3-dihydro-5-methoxy-1H-inden-1-one
CID 3018966
2-[2-[2-(4-Methoxyphenyl)ethyl]phenyl]isoindole-1,3-dione
CID 122192261
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione
CID 122192263
2-[2-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione
CID 122192272
(2E)-1-acetyl-2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methylidene]indol-3-one
CID 171345041
(2E)-1-acetyl-2-[[3-[4-(trifluoromethoxy)phenyl]phenyl]methylidene]indol-3-one
CID 171345454
5-Fluoro-1'-[(4-methoxyphenyl)methyl]spiro[1,3-dihydroindene-2,3'-indole]-2'-one
CID 24905732

Frequently Asked Questions

What is the IUPAC name of 2'-fluoro-6-methoxy-8'-methylspiro[3H-indene-2,12'-indolo[1,2-b]isoquinoline]-1,6'-dione?
The IUPAC name of 2'-fluoro-6-methoxy-8'-methylspiro[3H-indene-2,12'-indolo[1,2-b]isoquinoline]-1,6'-dione (CID 172635644) is 2'-fluoro-6-methoxy-8'-methylspiro[3H-indene-2,12'-indolo[1,2-b]isoquinoline]-1,6'-dione.
What is the SMILES notation for 2'-fluoro-6-methoxy-8'-methylspiro[3H-indene-2,12'-indolo[1,2-b]isoquinoline]-1,6'-dione?
The canonical SMILES for 2'-fluoro-6-methoxy-8'-methylspiro[3H-indene-2,12'-indolo[1,2-b]isoquinoline]-1,6'-dione is COc1ccc2c(c1)C(=O)C1(C2)c2cc(F)ccc2-n2c1cc1ccc(C)cc1c2=O.
What is the InChIKey of 2'-fluoro-6-methoxy-8'-methylspiro[3H-indene-2,12'-indolo[1,2-b]isoquinoline]-1,6'-dione?
The InChIKey is WDNVMPLBWJMEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FNO3/c1-14-3-4-15-10-23-26(13-16-5-7-18(31-2)12-19(16)24(26)29)21-11-17(27)6-8-22(21)28(23)25(30)20(15)9-14/h3-12H,13H2,1-2H3.
What are the key properties of 2'-fluoro-6-methoxy-8'-methylspiro[3H-indene-2,12'-indolo[1,2-b]isoquinoline]-1,6'-dione?
2'-fluoro-6-methoxy-8'-methylspiro[3H-indene-2,12'-indolo[1,2-b]isoquinoline]-1,6'-dione has a molecular weight of 411.43 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-fluoro-6-methoxy-8'-methylspiro[3H-indene-2,12'-indolo[1,2-b]isoquinoline]-1,6'-dione is sourced from PubChem (CID 172635644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).