(6',6'-dimethylspiro[2H-indole-3,8'-7H-[1,3]dioxolo[4,5-g]chromene]-1-yl)-(4-fluorophenyl)methanone

C26H22FNO4 — CID 56967286

IUPAC(6',6'-dimethylspiro[2H-indole-3,8'-7H-[1,3]dioxolo[4,5-g]chromene]-1-yl)-(4-fluorophenyl)methanone
SMILESCC1(C)CC2(CN(C(=O)c3ccc(F)cc3)c3ccccc32)c2cc3c(cc2O1)OCO3
InChIInChI=1S/C26H22FNO4/c1-25(2)13-26(19-11-22-23(31-15-30-22)12-21(19)32-25)14-28(20-6-4-3-5-18(20)26)24(29)16-7-9-17(27)10-8-16/h3-12H,13-15H2,1-2H3
InChIKeyAEVRAAWGGAJBCX-UHFFFAOYSA-N
MW431.46 g/mol
LogP5.06
Rot. Bonds1

About (6',6'-dimethylspiro[2H-indole-3,8'-7H-[1,3]dioxolo[4,5-g]chromene]-1-yl)-(4-fluorophenyl)methanone

(6',6'-dimethylspiro[2H-indole-3,8'-7H-[1,3]dioxolo[4,5-g]chromene]-1-yl)-(4-fluorophenyl)methanone (PubChem CID 56967286) has the molecular formula C26H22FNO4 and a molecular weight of 431.46 g/mol. Its IUPAC name is (6',6'-dimethylspiro[2H-indole-3,8'-7H-[1,3]dioxolo[4,5-g]chromene]-1-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(6',6'-dimethylspiro[2H-indole-3,8'-7H-[1,3]dioxolo[4,5-g]chromene]-1-yl)-(4-fluorophenyl)methanone
PubChem CID56967286
Molecular FormulaC26H22FNO4
Molecular Weight431.46 g/mol
Exact Mass431.15
IUPAC Name(6',6'-dimethylspiro[2H-indole-3,8'-7H-[1,3]dioxolo[4,5-g]chromene]-1-yl)-(4-fluorophenyl)methanone
SMILESCC1(C)CC2(CN(C(=O)c3ccc(F)cc3)c3ccccc32)c2cc3c(cc2O1)OCO3
InChIInChI=1S/C26H22FNO4/c1-25(2)13-26(19-11-22-23(31-15-30-22)12-21(19)32-25)14-28(20-6-4-3-5-18(20)26)24(29)16-7-9-17(27)10-8-16/h3-12H,13-15H2,1-2H3
InChIKeyAEVRAAWGGAJBCX-UHFFFAOYSA-N
XLogP5.06
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.46
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6',6'-dimethylspiro[2H-indole-3,8'-7H-[1,3]dioxolo[4,5-g]chromene]-1-yl)-(4-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,3'S,4'S)-3'-(1,3-benzodioxole-5-carbonyl)-4'-(4-fluorophenyl)-1'-methylspiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 41010447
(3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95103940
(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-phenylmethanone
CID 71830919
1,3-benzodioxol-5-yl-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369219
(4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110709472
4-(1,3-benzodioxole-5-carbonyl)-1-propan-2-yl-3H-quinoxalin-2-one
CID 110742163
(3-fluorophenyl)-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)methanone
CID 110709583
(4-fluorophenyl)-(7-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methanone
CID 110727582
5-(1,3-benzodioxol-5-ylmethylidene)-1-(4-fluorobenzoyl)-2-sulfanylideneimidazolidin-4-one
CID 1418142
(3S)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 90710525
(3R)-1-pentylspiro[2H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]
CID 90802978
1,3-benzodioxol-5-yl-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
CID 4219251

Frequently Asked Questions

What is the IUPAC name of (6',6'-dimethylspiro[2H-indole-3,8'-7H-[1,3]dioxolo[4,5-g]chromene]-1-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (6',6'-dimethylspiro[2H-indole-3,8'-7H-[1,3]dioxolo[4,5-g]chromene]-1-yl)-(4-fluorophenyl)methanone (CID 56967286) is (6',6'-dimethylspiro[2H-indole-3,8'-7H-[1,3]dioxolo[4,5-g]chromene]-1-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (6',6'-dimethylspiro[2H-indole-3,8'-7H-[1,3]dioxolo[4,5-g]chromene]-1-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (6',6'-dimethylspiro[2H-indole-3,8'-7H-[1,3]dioxolo[4,5-g]chromene]-1-yl)-(4-fluorophenyl)methanone is CC1(C)CC2(CN(C(=O)c3ccc(F)cc3)c3ccccc32)c2cc3c(cc2O1)OCO3.
What is the InChIKey of (6',6'-dimethylspiro[2H-indole-3,8'-7H-[1,3]dioxolo[4,5-g]chromene]-1-yl)-(4-fluorophenyl)methanone?
The InChIKey is AEVRAAWGGAJBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FNO4/c1-25(2)13-26(19-11-22-23(31-15-30-22)12-21(19)32-25)14-28(20-6-4-3-5-18(20)26)24(29)16-7-9-17(27)10-8-16/h3-12H,13-15H2,1-2H3.
What are the key properties of (6',6'-dimethylspiro[2H-indole-3,8'-7H-[1,3]dioxolo[4,5-g]chromene]-1-yl)-(4-fluorophenyl)methanone?
(6',6'-dimethylspiro[2H-indole-3,8'-7H-[1,3]dioxolo[4,5-g]chromene]-1-yl)-(4-fluorophenyl)methanone has a molecular weight of 431.46 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6',6'-dimethylspiro[2H-indole-3,8'-7H-[1,3]dioxolo[4,5-g]chromene]-1-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 56967286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).