4-cyclopropyl-1,3-dimethyl-6-[1-(4-methylphenyl)tetrazol-5-yl]-3H-quinoxalin-2-one

C21H22N6O — CID 146322295

IUPAC4-cyclopropyl-1,3-dimethyl-6-[1-(4-methylphenyl)tetrazol-5-yl]-3H-quinoxalin-2-one
SMILESCc1ccc(-n2nnnc2-c2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)cc1
InChIInChI=1S/C21H22N6O/c1-13-4-7-17(8-5-13)27-20(22-23-24-27)15-6-11-18-19(12-15)26(16-9-10-16)14(2)21(28)25(18)3/h4-8,11-12,14,16H,9-10H2,1-3H3
InChIKeySLOVRGQTJGESMC-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.97
Rot. Bonds3

About 4-cyclopropyl-1,3-dimethyl-6-[1-(4-methylphenyl)tetrazol-5-yl]-3H-quinoxalin-2-one

4-cyclopropyl-1,3-dimethyl-6-[1-(4-methylphenyl)tetrazol-5-yl]-3H-quinoxalin-2-one (PubChem CID 146322295) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-cyclopropyl-1,3-dimethyl-6-[1-(4-methylphenyl)tetrazol-5-yl]-3H-quinoxalin-2-one.

Molecular Properties

Compound Name4-cyclopropyl-1,3-dimethyl-6-[1-(4-methylphenyl)tetrazol-5-yl]-3H-quinoxalin-2-one
PubChem CID146322295
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name4-cyclopropyl-1,3-dimethyl-6-[1-(4-methylphenyl)tetrazol-5-yl]-3H-quinoxalin-2-one
SMILESCc1ccc(-n2nnnc2-c2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)cc1
InChIInChI=1S/C21H22N6O/c1-13-4-7-17(8-5-13)27-20(22-23-24-27)15-6-11-18-19(12-15)26(16-9-10-16)14(2)21(28)25(18)3/h4-8,11-12,14,16H,9-10H2,1-3H3
InChIKeySLOVRGQTJGESMC-UHFFFAOYSA-N
XLogP2.97
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-cyclopropyl-1,3-dimethyl-6-[1-(4-methylphenyl)tetrazol-5-yl]-3H-quinoxalin-2-one with MolForge

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Related Compounds

(3R)-4-cyclopentyl-6-[2-(2,4-dimethylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-3H-quinoxalin-2-one
CID 145945981
(3R)-6-[5-[(7S)-7-amino-5-azaspiro[2.4]heptane-5-carbonyl]-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-4-cyclopentyl-1,3-dimethyl-3H-quinoxalin-2-one
CID 146322224
(3R)-6-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-4-cyclopentyl-1,3-dimethyl-3H-quinoxalin-2-one
CID 146322229
(3R)-4-cyclopentyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one
CID 146322248
4-cyclopropyl-1,3-dimethyl-6-[2-(4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one
CID 146322251
(3R)-4-cyclopentyl-6-[2-(3-fluoro-4-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-3H-quinoxalin-2-one
CID 146322264
4-cyclopropyl-1,3-dimethyl-6-[4-(4-methylphenyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one
CID 146322265
(3R)-4-cyclopentyl-6-[5-(4-cyclopropylpiperazine-1-carbonyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-3H-quinoxalin-2-one
CID 146322268
(3R)-4-cyclopentyl-1,3-dimethyl-6-[5-(8-methyl-3,8-diazabicyclo[3.2.1]octane-3-carbonyl)-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one
CID 146322269
(3R)-4-cyclopentyl-6-[5-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]-2-(4-methylphenyl)-1,2,4-triazol-3-yl]-1,3-dimethyl-3H-quinoxalin-2-one
CID 146322270
5-[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-3H-quinoxalin-6-yl]-N-[2-(dimethylamino)ethyl]-N-methyl-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 146322271
(3R)-4-cyclopentyl-1,3-dimethyl-6-[2-(4-methylphenyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)-1,2,4-triazol-3-yl]-3H-quinoxalin-2-one
CID 146322272

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1,3-dimethyl-6-[1-(4-methylphenyl)tetrazol-5-yl]-3H-quinoxalin-2-one?
The IUPAC name of 4-cyclopropyl-1,3-dimethyl-6-[1-(4-methylphenyl)tetrazol-5-yl]-3H-quinoxalin-2-one (CID 146322295) is 4-cyclopropyl-1,3-dimethyl-6-[1-(4-methylphenyl)tetrazol-5-yl]-3H-quinoxalin-2-one.
What is the SMILES notation for 4-cyclopropyl-1,3-dimethyl-6-[1-(4-methylphenyl)tetrazol-5-yl]-3H-quinoxalin-2-one?
The canonical SMILES for 4-cyclopropyl-1,3-dimethyl-6-[1-(4-methylphenyl)tetrazol-5-yl]-3H-quinoxalin-2-one is Cc1ccc(-n2nnnc2-c2ccc3c(c2)N(C2CC2)C(C)C(=O)N3C)cc1.
What is the InChIKey of 4-cyclopropyl-1,3-dimethyl-6-[1-(4-methylphenyl)tetrazol-5-yl]-3H-quinoxalin-2-one?
The InChIKey is SLOVRGQTJGESMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-13-4-7-17(8-5-13)27-20(22-23-24-27)15-6-11-18-19(12-15)26(16-9-10-16)14(2)21(28)25(18)3/h4-8,11-12,14,16H,9-10H2,1-3H3.
What are the key properties of 4-cyclopropyl-1,3-dimethyl-6-[1-(4-methylphenyl)tetrazol-5-yl]-3H-quinoxalin-2-one?
4-cyclopropyl-1,3-dimethyl-6-[1-(4-methylphenyl)tetrazol-5-yl]-3H-quinoxalin-2-one has a molecular weight of 374.45 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1,3-dimethyl-6-[1-(4-methylphenyl)tetrazol-5-yl]-3H-quinoxalin-2-one is sourced from PubChem (CID 146322295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).