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

C26H38N6O3 — CID 3204383

IUPAC3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CN(CCCO)C(c3nnnn3C3CCCCC3)C(C)C)cc2c1
InChIInChI=1S/C26H38N6O3/c1-4-35-22-11-12-23-19(16-22)15-20(26(34)27-23)17-31(13-8-14-33)24(18(2)3)25-28-29-30-32(25)21-9-6-5-7-10-21/h11-12,15-16,18,21,24,33H,4-10,13-14,17H2,1-3H3,(H,27,34)
InChIKeyWSULRPCFWQQOCH-UHFFFAOYSA-N
MW482.63 g/mol
LogP4.00
Rot. Bonds11

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

3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one (PubChem CID 3204383) has the molecular formula C26H38N6O3 and a molecular weight of 482.63 g/mol. Its IUPAC name is 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
PubChem CID3204383
Molecular FormulaC26H38N6O3
Molecular Weight482.63 g/mol
Exact Mass482.30
IUPAC Name3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CN(CCCO)C(c3nnnn3C3CCCCC3)C(C)C)cc2c1
InChIInChI=1S/C26H38N6O3/c1-4-35-22-11-12-23-19(16-22)15-20(26(34)27-23)17-31(13-8-14-33)24(18(2)3)25-28-29-30-32(25)21-9-6-5-7-10-21/h11-12,15-16,18,21,24,33H,4-10,13-14,17H2,1-3H3,(H,27,34)
InChIKeyWSULRPCFWQQOCH-UHFFFAOYSA-N
XLogP4.00
TPSA109.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]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-[[cyclopentyl-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3204427
3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3203251
3-[[[(1S)-1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1436615
3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3204213
3-[[[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-hydroxyethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1436195
6-ethoxy-3-[[2-hydroxyethyl-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-1H-quinolin-2-one
CID 3204357
3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 3203077
3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(2-phenylethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 3204341
3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-(2-morpholin-4-ylethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 51625457
3-[[[(1R)-1-(1-cyclopentyltetrazol-5-yl)butyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 124899601
3-[[(1-cyclohexyltetrazol-5-yl)methyl-cyclopentylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1171725
3-[[[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one
CID 1436089

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one (CID 3204383) is 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one is CCOc1ccc2[nH]c(=O)c(CN(CCCO)C(c3nnnn3C3CCCCC3)C(C)C)cc2c1.
What is the InChIKey of 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one?
The InChIKey is WSULRPCFWQQOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O3/c1-4-35-22-11-12-23-19(16-22)15-20(26(34)27-23)17-31(13-8-14-33)24(18(2)3)25-28-29-30-32(25)21-9-6-5-7-10-21/h11-12,15-16,18,21,24,33H,4-10,13-14,17H2,1-3H3,(H,27,34).
What are the key properties of 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one?
3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one has a molecular weight of 482.63 g/mol, XLogP of 4.00, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(3-hydroxypropyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one is sourced from PubChem (CID 3204383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).