5,7-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one

C23H33N7O — CID 3183082

IUPAC5,7-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one
SMILESCCC(C)(C)n1nnnc1C(c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCN(C)CC1
InChIInChI=1S/C23H33N7O/c1-7-23(4,5)30-21(25-26-27-30)20(29-10-8-28(6)9-11-29)18-14-17-16(3)12-15(2)13-19(17)24-22(18)31/h12-14,20H,7-11H2,1-6H3,(H,24,31)
InChIKeyIRCQASLQSRZDDE-UHFFFAOYSA-N
MW423.57 g/mol
LogP2.61
Rot. Bonds5

About 5,7-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one

5,7-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one (PubChem CID 3183082) has the molecular formula C23H33N7O and a molecular weight of 423.57 g/mol. Its IUPAC name is 5,7-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name5,7-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one
PubChem CID3183082
Molecular FormulaC23H33N7O
Molecular Weight423.57 g/mol
Exact Mass423.27
IUPAC Name5,7-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one
SMILESCCC(C)(C)n1nnnc1C(c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCN(C)CC1
InChIInChI=1S/C23H33N7O/c1-7-23(4,5)30-21(25-26-27-30)20(29-10-8-28(6)9-11-29)18-14-17-16(3)12-15(2)13-19(17)24-22(18)31/h12-14,20H,7-11H2,1-6H3,(H,24,31)
InChIKeyIRCQASLQSRZDDE-UHFFFAOYSA-N
XLogP2.61
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.57
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,7-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[(S)-(4-ethylpiperazin-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1159195
5,8-dimethyl-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 1159047
7,8-dimethyl-3-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 1158199
3-[(1-tert-butyltetrazol-5-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3187602
3-[(S)-(1-tert-butyltetrazol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 28607772
7-methyl-3-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
CID 1158024
5,8-dimethyl-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
CID 1159040
3-[(R)-(4-hydroxypiperidin-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 1158779
3-[(4-hydroxypiperidin-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3182928
3-[[4-(4-fluorophenyl)piperazin-1-yl]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 3182679
3-[(S)-(4-cyclohexylpiperazin-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 1157949
3-[(R)-[benzyl(thiophen-2-ylmethyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 28503367

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 5,7-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one (CID 3183082) is 5,7-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 5,7-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 5,7-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one is CCC(C)(C)n1nnnc1C(c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCN(C)CC1.
What is the InChIKey of 5,7-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The InChIKey is IRCQASLQSRZDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O/c1-7-23(4,5)30-21(25-26-27-30)20(29-10-8-28(6)9-11-29)18-14-17-16(3)12-15(2)13-19(17)24-22(18)31/h12-14,20H,7-11H2,1-6H3,(H,24,31).
What are the key properties of 5,7-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
5,7-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one has a molecular weight of 423.57 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3183082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).