3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one

C22H28N6O — CID 1148810

IUPAC3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCCC3)cc12
InChIInChI=1S/C22H28N6O/c1-14-9-10-15(2)19-17(14)13-18(22(29)23-19)20(27-11-5-6-12-27)21-24-25-26-28(21)16-7-3-4-8-16/h9-10,13,16,20H,3-8,11-12H2,1-2H3,(H,23,29)/t20-/m0/s1
InChIKeyHOMVGWSJLTZDSE-FQEVSTJZSA-N
MW392.51 g/mol
LogP3.43
Rot. Bonds4

About 3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one

3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one (PubChem CID 1148810) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one
PubChem CID1148810
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCCC3)cc12
InChIInChI=1S/C22H28N6O/c1-14-9-10-15(2)19-17(14)13-18(22(29)23-19)20(27-11-5-6-12-27)21-24-25-26-28(21)16-7-3-4-8-16/h9-10,13,16,20H,3-8,11-12H2,1-2H3,(H,23,29)/t20-/m0/s1
InChIKeyHOMVGWSJLTZDSE-FQEVSTJZSA-N
XLogP3.43
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-5,8-dimethyl-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-[(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 3176800
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-[(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-[azepan-1-yl-(1-cyclohexyltetrazol-5-yl)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3175368
3-[(S)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ium-1-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one
CID 6970918
3-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1145237
3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 3175198
3-[(1-cyclopentyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 3176792
3-[(R)-(4-cyclohexylpiperazin-1-yl)-(1-cyclopentyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 1158355
3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-8-methyl-1H-quinolin-2-one
CID 653718

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one (CID 1148810) is 3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one is Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCCC3)cc12.
What is the InChIKey of 3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one?
The InChIKey is HOMVGWSJLTZDSE-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H28N6O/c1-14-9-10-15(2)19-17(14)13-18(22(29)23-19)20(27-11-5-6-12-27)21-24-25-26-28(21)16-7-3-4-8-16/h9-10,13,16,20H,3-8,11-12H2,1-2H3,(H,23,29)/t20-/m0/s1.
What are the key properties of 3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one?
3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one has a molecular weight of 392.51 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-5,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 1148810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).