4-cyclopropyl-6-(2,3-dihydroindol-1-ylmethyl)-1,3-dimethyl-3H-quinoxalin-2-one

C22H25N3O — CID 142296568

IUPAC4-cyclopropyl-6-(2,3-dihydroindol-1-ylmethyl)-1,3-dimethyl-3H-quinoxalin-2-one
SMILESCC1C(=O)N(C)c2ccc(CN3CCc4ccccc43)cc2N1C1CC1
InChIInChI=1S/C22H25N3O/c1-15-22(26)23(2)20-10-7-16(13-21(20)25(15)18-8-9-18)14-24-12-11-17-5-3-4-6-19(17)24/h3-7,10,13,15,18H,8-9,11-12,14H2,1-2H3
InChIKeyMGZHNOQQOZCBCK-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.58
Rot. Bonds3

About 4-cyclopropyl-6-(2,3-dihydroindol-1-ylmethyl)-1,3-dimethyl-3H-quinoxalin-2-one

4-cyclopropyl-6-(2,3-dihydroindol-1-ylmethyl)-1,3-dimethyl-3H-quinoxalin-2-one (PubChem CID 142296568) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-cyclopropyl-6-(2,3-dihydroindol-1-ylmethyl)-1,3-dimethyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-6-(2,3-dihydroindol-1-ylmethyl)-1,3-dimethyl-3H-quinoxalin-2-one
PubChem CID142296568
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name4-cyclopropyl-6-(2,3-dihydroindol-1-ylmethyl)-1,3-dimethyl-3H-quinoxalin-2-one
SMILESCC1C(=O)N(C)c2ccc(CN3CCc4ccccc43)cc2N1C1CC1
InChIInChI=1S/C22H25N3O/c1-15-22(26)23(2)20-10-7-16(13-21(20)25(15)18-8-9-18)14-24-12-11-17-5-3-4-6-19(17)24/h3-7,10,13,15,18H,8-9,11-12,14H2,1-2H3
InChIKeyMGZHNOQQOZCBCK-UHFFFAOYSA-N
XLogP3.58
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(2,3-dihydroindol-1-ylmethyl)-1,3-dimethyl-3H-quinoxalin-2-one?
The IUPAC name of 4-cyclopropyl-6-(2,3-dihydroindol-1-ylmethyl)-1,3-dimethyl-3H-quinoxalin-2-one (CID 142296568) is 4-cyclopropyl-6-(2,3-dihydroindol-1-ylmethyl)-1,3-dimethyl-3H-quinoxalin-2-one.
What is the SMILES notation for 4-cyclopropyl-6-(2,3-dihydroindol-1-ylmethyl)-1,3-dimethyl-3H-quinoxalin-2-one?
The canonical SMILES for 4-cyclopropyl-6-(2,3-dihydroindol-1-ylmethyl)-1,3-dimethyl-3H-quinoxalin-2-one is CC1C(=O)N(C)c2ccc(CN3CCc4ccccc43)cc2N1C1CC1.
What is the InChIKey of 4-cyclopropyl-6-(2,3-dihydroindol-1-ylmethyl)-1,3-dimethyl-3H-quinoxalin-2-one?
The InChIKey is MGZHNOQQOZCBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15-22(26)23(2)20-10-7-16(13-21(20)25(15)18-8-9-18)14-24-12-11-17-5-3-4-6-19(17)24/h3-7,10,13,15,18H,8-9,11-12,14H2,1-2H3.
What are the key properties of 4-cyclopropyl-6-(2,3-dihydroindol-1-ylmethyl)-1,3-dimethyl-3H-quinoxalin-2-one?
4-cyclopropyl-6-(2,3-dihydroindol-1-ylmethyl)-1,3-dimethyl-3H-quinoxalin-2-one has a molecular weight of 347.46 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(2,3-dihydroindol-1-ylmethyl)-1,3-dimethyl-3H-quinoxalin-2-one is sourced from PubChem (CID 142296568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).