3-[[cyclohexyl(methyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one

C24H34N6O — CID 3182489

IUPAC3-[[cyclohexyl(methyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
SMILESCCC(C)(C)n1nnnc1C(c1cc2cc(C)ccc2[nH]c1=O)N(C)C1CCCCC1
InChIInChI=1S/C24H34N6O/c1-6-24(3,4)30-22(26-27-28-30)21(29(5)18-10-8-7-9-11-18)19-15-17-14-16(2)12-13-20(17)25-23(19)31/h12-15,18,21H,6-11H2,1-5H3,(H,25,31)
InChIKeyJQXQUZSRYSZYJW-UHFFFAOYSA-N
MW422.58 g/mol
LogP4.32
Rot. Bonds6

About 3-[[cyclohexyl(methyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one

3-[[cyclohexyl(methyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 3182489) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is 3-[[cyclohexyl(methyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[cyclohexyl(methyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
PubChem CID3182489
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name3-[[cyclohexyl(methyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
SMILESCCC(C)(C)n1nnnc1C(c1cc2cc(C)ccc2[nH]c1=O)N(C)C1CCCCC1
InChIInChI=1S/C24H34N6O/c1-6-24(3,4)30-22(26-27-28-30)21(29(5)18-10-8-7-9-11-18)19-15-17-14-16(2)12-13-20(17)25-23(19)31/h12-15,18,21H,6-11H2,1-5H3,(H,25,31)
InChIKeyJQXQUZSRYSZYJW-UHFFFAOYSA-N
XLogP4.32
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[cyclohexyl(methyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[(S)-[cyclohexyl(methyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 1160629
3-[[cyclohexyl(methyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 3183528
3-[[benzyl(2-phenylethyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 3182435
3-[2-azaspiro[5.5]undecan-2-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 3182455
ethyl 1-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate
CID 1157683
3-[[cyclohexyl-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3203476
3-[(R)-[benzyl(thiophen-2-ylmethyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 28606392
3-[(S)-(4-cyclohexylpiperazin-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 1157949
3-[(S)-3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 1157698
3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 3182522
7-methyl-3-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
CID 1158024
3-[(R)-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 28606419

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclohexyl(methyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[cyclohexyl(methyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one (CID 3182489) is 3-[[cyclohexyl(methyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[cyclohexyl(methyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[cyclohexyl(methyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one is CCC(C)(C)n1nnnc1C(c1cc2cc(C)ccc2[nH]c1=O)N(C)C1CCCCC1.
What is the InChIKey of 3-[[cyclohexyl(methyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is JQXQUZSRYSZYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O/c1-6-24(3,4)30-22(26-27-28-30)21(29(5)18-10-8-7-9-11-18)19-15-17-14-16(2)12-13-20(17)25-23(19)31/h12-15,18,21H,6-11H2,1-5H3,(H,25,31).
What are the key properties of 3-[[cyclohexyl(methyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one?
3-[[cyclohexyl(methyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 422.58 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclohexyl(methyl)amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 3182489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).