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

C25H21N3O2 — CID 171476525

IUPAC5-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
SMILESCOc1ccc2c3c1CCN3C(c1ccccc1)=NC21C(=O)N(C)c2ccccc21
InChIInChI=1S/C25H21N3O2/c1-27-20-11-7-6-10-18(20)25(24(27)29)19-12-13-21(30-2)17-14-15-28(22(17)19)23(26-25)16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3
InChIKeyNSGFIWQINYVXSO-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.74
Rot. Bonds2

About 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

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 (PubChem CID 171476525) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID171476525
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name5-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
SMILESCOc1ccc2c3c1CCN3C(c1ccccc1)=NC21C(=O)N(C)c2ccccc21
InChIInChI=1S/C25H21N3O2/c1-27-20-11-7-6-10-18(20)25(24(27)29)19-12-13-21(30-2)17-14-15-28(22(17)19)23(26-25)16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3
InChIKeyNSGFIWQINYVXSO-UHFFFAOYSA-N
XLogP3.74
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 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
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
1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one
CID 132527977
3,3-bis(4-methoxy-3-methylphenyl)-1-methylindol-2-one
CID 2893867
(3S)-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 957706
2-(7-methoxy-1,3-benzodioxol-5-yl)-1-methyl-4,4-diphenylquinazoline
CID 134822509
3-(2-amino-13'-methoxy-1,12'-dimethyl-5-oxospiro[imidazole-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene]-5'-yl)benzonitrile
CID 24983273
(3S)-1'-(3,4-dimethoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95103926
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
2-(4-bromophenyl)-1-methyl-4,4-diphenylquinazoline
CID 134822461
1'-[4-(3,4-dimethoxyphenyl)-4-oxobutyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 70592114

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2c3c1CCN3C(c1ccccc1)=NC21C(=O)N(C)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is NSGFIWQINYVXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-27-20-11-7-6-10-18(20)25(24(27)29)19-12-13-21(30-2)17-14-15-28(22(17)19)23(26-25)16-8-4-3-5-9-16/h3-13H,14-15H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 395.46 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171476525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).