7'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one

C24H18FN3O — CID 171476521

IUPAC7'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one
SMILESCN1C(=O)C2(N=C(c3ccccc3)N3CCc4cccc2c43)c2cccc(F)c21
InChIInChI=1S/C24H18FN3O/c1-27-21-18(11-6-12-19(21)25)24(23(27)29)17-10-5-9-15-13-14-28(20(15)17)22(26-24)16-7-3-2-4-8-16/h2-12H,13-14H2,1H3
InChIKeyMJCCBUCAYAASJK-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.87
Rot. Bonds1

About 7'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one

7'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one (PubChem CID 171476521) has the molecular formula C24H18FN3O and a molecular weight of 383.43 g/mol. Its IUPAC name is 7'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one.

Molecular Properties

Compound Name7'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one
PubChem CID171476521
Molecular FormulaC24H18FN3O
Molecular Weight383.43 g/mol
Exact Mass383.14
IUPAC Name7'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one
SMILESCN1C(=O)C2(N=C(c3ccccc3)N3CCc4cccc2c43)c2cccc(F)c21
InChIInChI=1S/C24H18FN3O/c1-27-21-18(11-6-12-19(21)25)24(23(27)29)17-10-5-9-15-13-14-28(20(15)17)22(26-24)16-7-3-2-4-8-16/h2-12H,13-14H2,1H3
InChIKeyMJCCBUCAYAASJK-UHFFFAOYSA-N
XLogP3.87
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one with MolForge

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Related Compounds

1'-methyl-11-(4-phenylphenyl)spiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one
CID 171476532
5'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one
CID 171476553
5-methoxy-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-9,3'-indole]-2'-one
CID 171476525
1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one
CID 132527977
9-(2-fluorophenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one
CID 15704066
2-amino-2'-bromo-3'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one
CID 67457293
(4'aS,5S)-10'-fluoro-1-methyl-3'-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
CID 92823778
(4'aS,5R)-10'-fluoro-1-methyl-3'-phenylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
CID 92823779
(3R)-3-ethyl-3-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 134968441
2-amino-5-(4-fluoro-3-phenylphenyl)-3-methyl-5-phenylimidazol-4-one
CID 163906937
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 95930576
(3S,4aS,5R)-10-fluoro-1'-methyl-3-phenylspiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione
CID 124811215

Frequently Asked Questions

What is the IUPAC name of 7'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one?
The IUPAC name of 7'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one (CID 171476521) is 7'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one.
What is the SMILES notation for 7'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one?
The canonical SMILES for 7'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one is CN1C(=O)C2(N=C(c3ccccc3)N3CCc4cccc2c43)c2cccc(F)c21.
What is the InChIKey of 7'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one?
The InChIKey is MJCCBUCAYAASJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O/c1-27-21-18(11-6-12-19(21)25)24(23(27)29)17-10-5-9-15-13-14-28(20(15)17)22(26-24)16-7-3-2-4-8-16/h2-12H,13-14H2,1H3.
What are the key properties of 7'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one?
7'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one has a molecular weight of 383.43 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one is sourced from PubChem (CID 171476521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).