10-(2,3-dihydroindole-1-carbonyl)-9-hydroxy-6-methoxy-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one

C20H17N3O4 — CID 54688277

IUPAC10-(2,3-dihydroindole-1-carbonyl)-9-hydroxy-6-methoxy-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
SMILESCOc1cc2c3c(c1)c(O)c(C(=O)N1CCc4ccccc41)c(=O)n3NC2
InChIInChI=1S/C20H17N3O4/c1-27-13-8-12-10-21-23-17(12)14(9-13)18(24)16(20(23)26)19(25)22-7-6-11-4-2-3-5-15(11)22/h2-5,8-9,21,24H,6-7,10H2,1H3
InChIKeySEJGOLUVSWKGGX-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.98
Rot. Bonds2

About 10-(2,3-dihydroindole-1-carbonyl)-9-hydroxy-6-methoxy-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one

10-(2,3-dihydroindole-1-carbonyl)-9-hydroxy-6-methoxy-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one (PubChem CID 54688277) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 10-(2,3-dihydroindole-1-carbonyl)-9-hydroxy-6-methoxy-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one.

Molecular Properties

Compound Name10-(2,3-dihydroindole-1-carbonyl)-9-hydroxy-6-methoxy-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
PubChem CID54688277
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name10-(2,3-dihydroindole-1-carbonyl)-9-hydroxy-6-methoxy-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
SMILESCOc1cc2c3c(c1)c(O)c(C(=O)N1CCc4ccccc41)c(=O)n3NC2
InChIInChI=1S/C20H17N3O4/c1-27-13-8-12-10-21-23-17(12)14(9-13)18(24)16(20(23)26)19(25)22-7-6-11-4-2-3-5-15(11)22/h2-5,8-9,21,24H,6-7,10H2,1H3
InChIKeySEJGOLUVSWKGGX-UHFFFAOYSA-N
XLogP1.98
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 10-(2,3-dihydroindole-1-carbonyl)-9-hydroxy-6-methoxy-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one with MolForge

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Related Compounds

3-(2,3-dihydroindole-1-carbonyl)-4-hydroxy-8-methoxy-1-methylquinolin-2-one
CID 67841246
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165
2,3-dihydroindol-1-yl-(6-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 110856980
(3-bromo-4-hydroxy-5-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 18165322
2,3-dihydroindol-1-yl-(6-methoxyquinolin-2-yl)methanone
CID 33314487
1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110856984
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 110370799
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 113208442
7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 31921305
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013
3,4-dihydro-2H-quinolin-1-yl-(5-methoxy-1H-indol-3-yl)methanone
CID 113206041

Frequently Asked Questions

What is the IUPAC name of 10-(2,3-dihydroindole-1-carbonyl)-9-hydroxy-6-methoxy-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one?
The IUPAC name of 10-(2,3-dihydroindole-1-carbonyl)-9-hydroxy-6-methoxy-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one (CID 54688277) is 10-(2,3-dihydroindole-1-carbonyl)-9-hydroxy-6-methoxy-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one.
What is the SMILES notation for 10-(2,3-dihydroindole-1-carbonyl)-9-hydroxy-6-methoxy-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one?
The canonical SMILES for 10-(2,3-dihydroindole-1-carbonyl)-9-hydroxy-6-methoxy-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one is COc1cc2c3c(c1)c(O)c(C(=O)N1CCc4ccccc41)c(=O)n3NC2.
What is the InChIKey of 10-(2,3-dihydroindole-1-carbonyl)-9-hydroxy-6-methoxy-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one?
The InChIKey is SEJGOLUVSWKGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-27-13-8-12-10-21-23-17(12)14(9-13)18(24)16(20(23)26)19(25)22-7-6-11-4-2-3-5-15(11)22/h2-5,8-9,21,24H,6-7,10H2,1H3.
What are the key properties of 10-(2,3-dihydroindole-1-carbonyl)-9-hydroxy-6-methoxy-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one?
10-(2,3-dihydroindole-1-carbonyl)-9-hydroxy-6-methoxy-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one has a molecular weight of 363.37 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,3-dihydroindole-1-carbonyl)-9-hydroxy-6-methoxy-1,2-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one is sourced from PubChem (CID 54688277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).