3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one

C25H34N6O — CID 25305759

IUPAC3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCC[C@@H](C)C3)cc2c1
InChIInChI=1S/C25H34N6O/c1-3-18-11-12-22-19(14-18)15-21(25(32)26-22)23(30-13-7-8-17(2)16-30)24-27-28-29-31(24)20-9-5-4-6-10-20/h11-12,14-15,17,20,23H,3-10,13,16H2,1-2H3,(H,26,32)/t17-,23-/m1/s1
InChIKeyBXPZLOIJWAAZLC-UZUQRXQVSA-N
MW434.59 g/mol
LogP4.40
Rot. Bonds5

About 3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one

3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one (PubChem CID 25305759) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is 3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
PubChem CID25305759
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC Name3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCC[C@@H](C)C3)cc2c1
InChIInChI=1S/C25H34N6O/c1-3-18-11-12-22-19(14-18)15-21(25(32)26-22)23(30-13-7-8-17(2)16-30)24-27-28-29-31(24)20-9-5-4-6-10-20/h11-12,14-15,17,20,23H,3-10,13,16H2,1-2H3,(H,26,32)/t17-,23-/m1/s1
InChIKeyBXPZLOIJWAAZLC-UZUQRXQVSA-N
XLogP4.40
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(R)-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 28606495
3-[(S)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 6550895
3-[(1-cyclohexyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 3175141
3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 3176600
3-[(S)-(1-cyclohexyltetrazol-5-yl)-[(2S)-2-methylpiperidin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 1375347
3-[(S)-(4-benzhydrylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 92763961
6-ethyl-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(3-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
CID 3182585
3-[(R)-(4-benzylpiperazin-1-yl)-(1-cyclohexyltetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 1148267
3-[(S)-(1-cyclopentyltetrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 1148171
3-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(1-cyclohexyltetrazol-5-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 3182559
3-[(R)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 1144792
3-[(R)-azepan-1-yl-(1-cyclohexyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 1144858

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one?
The IUPAC name of 3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one (CID 25305759) is 3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CCC[C@@H](C)C3)cc2c1.
What is the InChIKey of 3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one?
The InChIKey is BXPZLOIJWAAZLC-UZUQRXQVSA-N. The full InChI is InChI=1S/C25H34N6O/c1-3-18-11-12-22-19(14-18)15-21(25(32)26-22)23(30-13-7-8-17(2)16-30)24-27-28-29-31(24)20-9-5-4-6-10-20/h11-12,14-15,17,20,23H,3-10,13,16H2,1-2H3,(H,26,32)/t17-,23-/m1/s1.
What are the key properties of 3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one?
3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one has a molecular weight of 434.59 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one is sourced from PubChem (CID 25305759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).