3-[[benzyl-[1-(1-cyclopentyltetrazol-5-yl)cyclopentyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one

C30H36N6O — CID 3204728

IUPAC3-[[benzyl-[1-(1-cyclopentyltetrazol-5-yl)cyclopentyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C3(c4nnnn4C4CCCC4)CCCC3)cc2c1
InChIInChI=1S/C30H36N6O/c1-21-16-22(2)27-24(17-21)18-25(28(37)31-27)20-35(19-23-10-4-3-5-11-23)30(14-8-9-15-30)29-32-33-34-36(29)26-12-6-7-13-26/h3-5,10-11,16-18,26H,6-9,12-15,19-20H2,1-2H3,(H,31,37)
InChIKeyCHNCNHWVRCNYCB-UHFFFAOYSA-N
MW496.66 g/mol
LogP5.72
Rot. Bonds7

About 3-[[benzyl-[1-(1-cyclopentyltetrazol-5-yl)cyclopentyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one

3-[[benzyl-[1-(1-cyclopentyltetrazol-5-yl)cyclopentyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one (PubChem CID 3204728) has the molecular formula C30H36N6O and a molecular weight of 496.66 g/mol. Its IUPAC name is 3-[[benzyl-[1-(1-cyclopentyltetrazol-5-yl)cyclopentyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[benzyl-[1-(1-cyclopentyltetrazol-5-yl)cyclopentyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
PubChem CID3204728
Molecular FormulaC30H36N6O
Molecular Weight496.66 g/mol
Exact Mass496.30
IUPAC Name3-[[benzyl-[1-(1-cyclopentyltetrazol-5-yl)cyclopentyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C3(c4nnnn4C4CCCC4)CCCC3)cc2c1
InChIInChI=1S/C30H36N6O/c1-21-16-22(2)27-24(17-21)18-25(28(37)31-27)20-35(19-23-10-4-3-5-11-23)30(14-8-9-15-30)29-32-33-34-36(29)26-12-6-7-13-26/h3-5,10-11,16-18,26H,6-9,12-15,19-20H2,1-2H3,(H,31,37)
InChIKeyCHNCNHWVRCNYCB-UHFFFAOYSA-N
XLogP5.72
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.66
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[benzyl-[1-(1-cyclopentyltetrazol-5-yl)cyclopentyl]amino]methyl]-6,8-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-(1-cyclopentyltetrazol-5-yl)cyclohexyl]-(3-hydroxypropyl)amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 23997285
3-[[(1-cyclohexyltetrazol-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3200443
3-[[(1-cyclohexyltetrazol-5-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 1171104
3-[(S)-[benzyl(ethyl)amino]-(1-cyclohexyltetrazol-5-yl)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 40593651
3-[[1-(1-cyclohexyltetrazol-5-yl)propyl-[(4-methylphenyl)methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3200848
3-[[benzyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1170793
3-[[(1-cyclopentyltetrazol-5-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 1171093
3-[(S)-[benzyl(pyridin-3-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 28607375
3-[[[(1S)-1-(1-cyclohexyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 124899727
3-[[cyclopentyl-[1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3204104
3-[[(1-cyclopentyltetrazol-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1464110
3-[[(1-cyclohexyltetrazol-5-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 1171400

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl-[1-(1-cyclopentyltetrazol-5-yl)cyclopentyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[benzyl-[1-(1-cyclopentyltetrazol-5-yl)cyclopentyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one (CID 3204728) is 3-[[benzyl-[1-(1-cyclopentyltetrazol-5-yl)cyclopentyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[benzyl-[1-(1-cyclopentyltetrazol-5-yl)cyclopentyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[benzyl-[1-(1-cyclopentyltetrazol-5-yl)cyclopentyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one is Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C3(c4nnnn4C4CCCC4)CCCC3)cc2c1.
What is the InChIKey of 3-[[benzyl-[1-(1-cyclopentyltetrazol-5-yl)cyclopentyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?
The InChIKey is CHNCNHWVRCNYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O/c1-21-16-22(2)27-24(17-21)18-25(28(37)31-27)20-35(19-23-10-4-3-5-11-23)30(14-8-9-15-30)29-32-33-34-36(29)26-12-6-7-13-26/h3-5,10-11,16-18,26H,6-9,12-15,19-20H2,1-2H3,(H,31,37).
What are the key properties of 3-[[benzyl-[1-(1-cyclopentyltetrazol-5-yl)cyclopentyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one?
3-[[benzyl-[1-(1-cyclopentyltetrazol-5-yl)cyclopentyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one has a molecular weight of 496.66 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl-[1-(1-cyclopentyltetrazol-5-yl)cyclopentyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 3204728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).