3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one

C23H30N6O — CID 3175118

IUPAC3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCC(C)CC3)cc2c1
InChIInChI=1S/C23H30N6O/c1-15-9-11-28(12-10-15)21(22-25-26-27-29(22)18-5-3-4-6-18)19-14-17-13-16(2)7-8-20(17)24-23(19)30/h7-8,13-15,18,21H,3-6,9-12H2,1-2H3,(H,24,30)
InChIKeyCQSBGWQJGGPHDT-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.76
Rot. Bonds4

About 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one

3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 3175118) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
PubChem CID3175118
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCC(C)CC3)cc2c1
InChIInChI=1S/C23H30N6O/c1-15-9-11-28(12-10-15)21(22-25-26-27-29(22)18-5-3-4-6-18)19-14-17-13-16(2)7-8-20(17)24-23(19)30/h7-8,13-15,18,21H,3-6,9-12H2,1-2H3,(H,24,30)
InChIKeyCQSBGWQJGGPHDT-UHFFFAOYSA-N
XLogP3.76
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-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

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one (CID 3175118) is 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCC(C)CC3)cc2c1.
What is the InChIKey of 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is CQSBGWQJGGPHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-15-9-11-28(12-10-15)21(22-25-26-27-29(22)18-5-3-4-6-18)19-14-17-13-16(2)7-8-20(17)24-23(19)30/h7-8,13-15,18,21H,3-6,9-12H2,1-2H3,(H,24,30).
What are the key properties of 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one?
3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 406.53 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentyltetrazol-5-yl)-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 3175118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).