3-[(S)-[benzyl(ethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-7-methyl-1H-quinolin-2-one

C26H30N6O — CID 1146837

IUPAC3-[(S)-[benzyl(ethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-7-methyl-1H-quinolin-2-one
SMILESCCN(Cc1ccccc1)[C@@H](c1cc2ccc(C)cc2[nH]c1=O)c1nnnn1C1CCCC1
InChIInChI=1S/C26H30N6O/c1-3-31(17-19-9-5-4-6-10-19)24(25-28-29-30-32(25)21-11-7-8-12-21)22-16-20-14-13-18(2)15-23(20)27-26(22)33/h4-6,9-10,13-16,21,24H,3,7-8,11-12,17H2,1-2H3,(H,27,33)/t24-/m0/s1
InChIKeyXXXFONKVVLABDK-DEOSSOPVSA-N
MW442.57 g/mol
LogP4.55
Rot. Bonds7

About 3-[(S)-[benzyl(ethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-7-methyl-1H-quinolin-2-one

3-[(S)-[benzyl(ethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-7-methyl-1H-quinolin-2-one (PubChem CID 1146837) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 3-[(S)-[benzyl(ethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(S)-[benzyl(ethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-7-methyl-1H-quinolin-2-one
PubChem CID1146837
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name3-[(S)-[benzyl(ethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-7-methyl-1H-quinolin-2-one
SMILESCCN(Cc1ccccc1)[C@@H](c1cc2ccc(C)cc2[nH]c1=O)c1nnnn1C1CCCC1
InChIInChI=1S/C26H30N6O/c1-3-31(17-19-9-5-4-6-10-19)24(25-28-29-30-32(25)21-11-7-8-12-21)22-16-20-14-13-18(2)15-23(20)27-26(22)33/h4-6,9-10,13-16,21,24H,3,7-8,11-12,17H2,1-2H3,(H,27,33)/t24-/m0/s1
InChIKeyXXXFONKVVLABDK-DEOSSOPVSA-N
XLogP4.55
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(S)-[benzyl(ethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-7-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-[(S)-[benzyl(ethyl)amino]-(1-cyclohexyltetrazol-5-yl)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 40593651
3-[[benzyl(2-phenylethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 3182436
3-[[benzyl(ethyl)amino]-(1-cyclohexyltetrazol-5-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 3182696
3-[(S)-[benzyl(ethyl)amino]-(1-cyclohexyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 1158320
3-[(R)-[benzyl-[(4-chlorophenyl)methyl]amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 97289197
3-[[benzyl(pyridin-3-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 3149962
3-[[benzyl(ethyl)amino]-(1-cyclohexyltetrazol-5-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 3176816
3-[[1-(1-cyclopentyltetrazol-5-yl)butyl-(2-phenylethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3203480
3-[[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 3150078
3-[(R)-[benzyl(ethyl)amino]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 28503260
3-[(S)-[benzyl(ethyl)amino]-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 1157929
3-[[benzyl(furan-2-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3150315

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-[benzyl(ethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(S)-[benzyl(ethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-7-methyl-1H-quinolin-2-one (CID 1146837) is 3-[(S)-[benzyl(ethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(S)-[benzyl(ethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(S)-[benzyl(ethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-7-methyl-1H-quinolin-2-one is CCN(Cc1ccccc1)[C@@H](c1cc2ccc(C)cc2[nH]c1=O)c1nnnn1C1CCCC1.
What is the InChIKey of 3-[(S)-[benzyl(ethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-7-methyl-1H-quinolin-2-one?
The InChIKey is XXXFONKVVLABDK-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H30N6O/c1-3-31(17-19-9-5-4-6-10-19)24(25-28-29-30-32(25)21-11-7-8-12-21)22-16-20-14-13-18(2)15-23(20)27-26(22)33/h4-6,9-10,13-16,21,24H,3,7-8,11-12,17H2,1-2H3,(H,27,33)/t24-/m0/s1.
What are the key properties of 3-[(S)-[benzyl(ethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-7-methyl-1H-quinolin-2-one?
3-[(S)-[benzyl(ethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-7-methyl-1H-quinolin-2-one has a molecular weight of 442.57 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-[benzyl(ethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 1146837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).