6-methyl-2-(1,2,3,4-tetrahydroquinoxalin-6-yl)-3H-isoindol-1-one

C17H17N3O — CID 143783388

IUPAC6-methyl-2-(1,2,3,4-tetrahydroquinoxalin-6-yl)-3H-isoindol-1-one
SMILESCc1ccc2c(c1)C(=O)N(c1ccc3c(c1)NCCN3)C2
InChIInChI=1S/C17H17N3O/c1-11-2-3-12-10-20(17(21)14(12)8-11)13-4-5-15-16(9-13)19-7-6-18-15/h2-5,8-9,18-19H,6-7,10H2,1H3
InChIKeyCTQQRXRNSOHKCW-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.99
Rot. Bonds1

About 6-methyl-2-(1,2,3,4-tetrahydroquinoxalin-6-yl)-3H-isoindol-1-one

6-methyl-2-(1,2,3,4-tetrahydroquinoxalin-6-yl)-3H-isoindol-1-one (PubChem CID 143783388) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-methyl-2-(1,2,3,4-tetrahydroquinoxalin-6-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-methyl-2-(1,2,3,4-tetrahydroquinoxalin-6-yl)-3H-isoindol-1-one
PubChem CID143783388
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name6-methyl-2-(1,2,3,4-tetrahydroquinoxalin-6-yl)-3H-isoindol-1-one
SMILESCc1ccc2c(c1)C(=O)N(c1ccc3c(c1)NCCN3)C2
InChIInChI=1S/C17H17N3O/c1-11-2-3-12-10-20(17(21)14(12)8-11)13-4-5-15-16(9-13)19-7-6-18-15/h2-5,8-9,18-19H,6-7,10H2,1H3
InChIKeyCTQQRXRNSOHKCW-UHFFFAOYSA-N
XLogP2.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-methyl-2-(1,2,3,4-tetrahydroquinoxalin-6-yl)-3H-isoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

ethane;methane;6-methyl-2-(1-propan-2-ylindol-5-yl)-3H-isoindol-1-one
CID 143783435
2-(4-methylphenyl)-3H-isoindol-1-one
CID 2836108
6-methoxy-2-(4-methylquinolin-6-yl)-3H-isoindol-1-one
CID 59543192
5-bromo-2-(4-methylphenyl)-3H-isoindol-1-one
CID 144618984
5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1,3-dimethylbenzimidazol-2-one
CID 42597249
6-methyl-2-(5-propan-2-yl-2-pyridinyl)-3H-isoindol-1-one
CID 143783382
2-(1,2-dimethylindol-5-yl)-6-methoxy-3H-isoindol-1-one
CID 42600648
6-chloro-2-(1,2-dimethylindol-6-yl)-3H-isoindol-1-one
CID 59543256
tert-butyl 5-methyl-3-oxo-1H-isoindole-2-carboxylate
CID 163719423
2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid
CID 115023854
5-bromo-2-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-3H-isoindol-1-one
CID 158279882
6-amino-2-(1-methylindol-5-yl)-3H-isoindol-1-one
CID 59543176

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1,2,3,4-tetrahydroquinoxalin-6-yl)-3H-isoindol-1-one?
The IUPAC name of 6-methyl-2-(1,2,3,4-tetrahydroquinoxalin-6-yl)-3H-isoindol-1-one (CID 143783388) is 6-methyl-2-(1,2,3,4-tetrahydroquinoxalin-6-yl)-3H-isoindol-1-one.
What is the SMILES notation for 6-methyl-2-(1,2,3,4-tetrahydroquinoxalin-6-yl)-3H-isoindol-1-one?
The canonical SMILES for 6-methyl-2-(1,2,3,4-tetrahydroquinoxalin-6-yl)-3H-isoindol-1-one is Cc1ccc2c(c1)C(=O)N(c1ccc3c(c1)NCCN3)C2.
What is the InChIKey of 6-methyl-2-(1,2,3,4-tetrahydroquinoxalin-6-yl)-3H-isoindol-1-one?
The InChIKey is CTQQRXRNSOHKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-2-3-12-10-20(17(21)14(12)8-11)13-4-5-15-16(9-13)19-7-6-18-15/h2-5,8-9,18-19H,6-7,10H2,1H3.
What are the key properties of 6-methyl-2-(1,2,3,4-tetrahydroquinoxalin-6-yl)-3H-isoindol-1-one?
6-methyl-2-(1,2,3,4-tetrahydroquinoxalin-6-yl)-3H-isoindol-1-one has a molecular weight of 279.34 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1,2,3,4-tetrahydroquinoxalin-6-yl)-3H-isoindol-1-one is sourced from PubChem (CID 143783388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).