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

C23H30N6O — CID 1144792

IUPAC3-[(R)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCCCCC3)cc2c1
InChIInChI=1S/C23H30N6O/c1-16-10-11-20-17(14-16)15-19(23(30)24-20)21(28-12-6-2-3-7-13-28)22-25-26-27-29(22)18-8-4-5-9-18/h10-11,14-15,18,21H,2-9,12-13H2,1H3,(H,24,30)/t21-/m1/s1
InChIKeyBKNQWECHYXSZMQ-OAQYLSRUSA-N
MW406.53 g/mol
LogP3.90
Rot. Bonds4

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

3-[(R)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 1144792) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-[(R)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(R)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one
PubChem CID1144792
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name3-[(R)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCCCCC3)cc2c1
InChIInChI=1S/C23H30N6O/c1-16-10-11-20-17(14-16)15-19(23(30)24-20)21(28-12-6-2-3-7-13-28)22-25-26-27-29(22)18-8-4-5-9-18/h10-11,14-15,18,21H,2-9,12-13H2,1H3,(H,24,30)/t21-/m1/s1
InChIKeyBKNQWECHYXSZMQ-OAQYLSRUSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(R)-azepan-1-yl-(1-cyclopentyltetrazol-5-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

Related Compounds

3-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]-6-methyl-1H-quinolin-2-one
CID 1144838
3-[(R)-azepan-1-yl-(1-cyclohexyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 1144858
3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-6-methyl-1H-quinolin-2-one
CID 1144770
3-[(S)-(1-cyclohexyltetrazol-5-yl)-(4-methylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 1144849
3-[(R)-(1-cyclohexyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one
CID 1144847
3-[(1-cyclohexyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one
CID 3175142
3-[(R)-(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one
CID 1144781
3-[(1-cyclohexyltetrazol-5-yl)-(3-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 3175141
3-[(S)-(1-cyclohexyltetrazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 6550895
3-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 1144785
3-[(S)-(1-cyclohexyltetrazol-5-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 1156955
3-[(R)-(1-cyclopentyltetrazol-5-yl)-(4-phenylpiperazin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 1144795

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(R)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one (CID 1144792) is 3-[(R)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(R)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(R)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CCCCCC3)cc2c1.
What is the InChIKey of 3-[(R)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is BKNQWECHYXSZMQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30N6O/c1-16-10-11-20-17(14-16)15-19(23(30)24-20)21(28-12-6-2-3-7-13-28)22-25-26-27-29(22)18-8-4-5-9-18/h10-11,14-15,18,21H,2-9,12-13H2,1H3,(H,24,30)/t21-/m1/s1.
What are the key properties of 3-[(R)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one?
3-[(R)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 406.53 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 1144792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).