3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one

C24H33N7O — CID 3176800

IUPAC3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc(C)c2[nH]c(=O)c(C(c3nnnn3C3CCCCC3)N3CCN(C)CC3)cc12
InChIInChI=1S/C24H33N7O/c1-16-9-10-17(2)21-19(16)15-20(24(32)25-21)22(30-13-11-29(3)12-14-30)23-26-27-28-31(23)18-7-5-4-6-8-18/h9-10,15,18,22H,4-8,11-14H2,1-3H3,(H,25,32)
InChIKeyOLFWWERYUJPYIT-UHFFFAOYSA-N
MW435.58 g/mol
LogP2.97
Rot. Bonds4

About 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one

3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one (PubChem CID 3176800) has the molecular formula C24H33N7O and a molecular weight of 435.58 g/mol. Its IUPAC name is 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one
PubChem CID3176800
Molecular FormulaC24H33N7O
Molecular Weight435.58 g/mol
Exact Mass435.27
IUPAC Name3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc(C)c2[nH]c(=O)c(C(c3nnnn3C3CCCCC3)N3CCN(C)CC3)cc12
InChIInChI=1S/C24H33N7O/c1-16-9-10-17(2)21-19(16)15-20(24(32)25-21)22(30-13-11-29(3)12-14-30)23-26-27-28-31(23)18-7-5-4-6-8-18/h9-10,15,18,22H,4-8,11-14H2,1-3H3,(H,25,32)
InChIKeyOLFWWERYUJPYIT-UHFFFAOYSA-N
XLogP2.97
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.58
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1148810
3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 3175198
3-[(S)-(1-cyclopentyltetrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 28607740
3-[(R)-(1-cyclopentyltetrazol-5-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 28607736
3-[(S)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ium-1-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one
CID 6970918
3-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 1144849
3-[(R)-(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 1158355
3-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1145243
3-[azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 3175270
3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 100860327
5,8-dimethyl-3-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 1159047
3-[(1-cyclopentyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 3176792

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one (CID 3176800) is 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one is Cc1ccc(C)c2[nH]c(=O)c(C(c3nnnn3C3CCCCC3)N3CCN(C)CC3)cc12.
What is the InChIKey of 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one?
The InChIKey is OLFWWERYUJPYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O/c1-16-9-10-17(2)21-19(16)15-20(24(32)25-21)22(30-13-11-29(3)12-14-30)23-26-27-28-31(23)18-7-5-4-6-8-18/h9-10,15,18,22H,4-8,11-14H2,1-3H3,(H,25,32).
What are the key properties of 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one?
3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one has a molecular weight of 435.58 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 3176800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).