3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-1H-quinolin-2-one

C25H34N6O2 — CID 1171725

IUPAC3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C3CCCCC3)C3CCCC3)cc2c1
InChIInChI=1S/C25H34N6O2/c1-2-33-22-12-13-23-18(15-22)14-19(25(32)26-23)16-30(20-8-6-7-9-20)17-24-27-28-29-31(24)21-10-4-3-5-11-21/h12-15,20-21H,2-11,16-17H2,1H3,(H,26,32)
InChIKeyRAKKMVUXXMDPLU-UHFFFAOYSA-N
MW450.59 g/mol
LogP4.36
Rot. Bonds8

About 3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-1H-quinolin-2-one

3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-1H-quinolin-2-one (PubChem CID 1171725) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-1H-quinolin-2-one
PubChem CID1171725
Molecular FormulaC25H34N6O2
Molecular Weight450.59 g/mol
Exact Mass450.27
IUPAC Name3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C3CCCCC3)C3CCCC3)cc2c1
InChIInChI=1S/C25H34N6O2/c1-2-33-22-12-13-23-18(15-22)14-19(25(32)26-23)16-30(20-8-6-7-9-20)17-24-27-28-29-31(24)21-10-4-3-5-11-21/h12-15,20-21H,2-11,16-17H2,1H3,(H,26,32)
InChIKeyRAKKMVUXXMDPLU-UHFFFAOYSA-N
XLogP4.36
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-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-benzyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1171766
3-[[(2-chlorophenyl)methyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3200400
3-[[cyclohexyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3186355
3-[[(1-cyclopentyltetrazol-5-yl)methyl-(furan-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1171706
7-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1465387
3-[[cyclopentyl-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3204427
3-[[(1-cyclopentyltetrazol-5-yl)methyl-(3-morpholin-4-ylpropyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1171711
3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3204383
3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 3186331
3-[[(1-tert-butyltetrazol-5-yl)methyl-cyclohexylamino]methyl]-6-ethyl-1H-quinolin-2-one
CID 1170682
3-[[cyclopentyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 4171458
3-[[1-(1-tert-butyltetrazol-5-yl)propyl-cyclohexylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3200778

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-1H-quinolin-2-one (CID 1171725) is 3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-1H-quinolin-2-one is CCOc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C3CCCCC3)C3CCCC3)cc2c1.
What is the InChIKey of 3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-1H-quinolin-2-one?
The InChIKey is RAKKMVUXXMDPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2/c1-2-33-22-12-13-23-18(15-22)14-19(25(32)26-23)16-30(20-8-6-7-9-20)17-24-27-28-29-31(24)21-10-4-3-5-11-21/h12-15,20-21H,2-11,16-17H2,1H3,(H,26,32).
What are the key properties of 3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-1H-quinolin-2-one?
3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-1H-quinolin-2-one has a molecular weight of 450.59 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-1H-quinolin-2-one is sourced from PubChem (CID 1171725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).