ethyl 2-[5-[(1R)-2-methyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)amino]propyl]tetrazol-1-yl]acetate

C26H31N7O3 — CID 1438145

IUPACethyl 2-[5-[(1R)-2-methyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)amino]propyl]tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1[C@@H](C(C)C)N(Cc1cccnc1)Cc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C26H31N7O3/c1-5-36-22(34)16-33-25(29-30-31-33)24(17(2)3)32(14-19-9-7-11-27-13-19)15-21-12-20-10-6-8-18(4)23(20)28-26(21)35/h6-13,17,24H,5,14-16H2,1-4H3,(H,28,35)/t24-/m1/s1
InChIKeyFATCYLSSTNKCGW-XMMPIXPASA-N
MW489.58 g/mol
LogP3.18
Rot. Bonds10

About ethyl 2-[5-[(1R)-2-methyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)amino]propyl]tetrazol-1-yl]acetate

ethyl 2-[5-[(1R)-2-methyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)amino]propyl]tetrazol-1-yl]acetate (PubChem CID 1438145) has the molecular formula C26H31N7O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is ethyl 2-[5-[(1R)-2-methyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)amino]propyl]tetrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[(1R)-2-methyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)amino]propyl]tetrazol-1-yl]acetate
PubChem CID1438145
Molecular FormulaC26H31N7O3
Molecular Weight489.58 g/mol
Exact Mass489.25
IUPAC Nameethyl 2-[5-[(1R)-2-methyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)amino]propyl]tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1[C@@H](C(C)C)N(Cc1cccnc1)Cc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C26H31N7O3/c1-5-36-22(34)16-33-25(29-30-31-33)24(17(2)3)32(14-19-9-7-11-27-13-19)15-21-12-20-10-6-8-18(4)23(20)28-26(21)35/h6-13,17,24H,5,14-16H2,1-4H3,(H,28,35)/t24-/m1/s1
InChIKeyFATCYLSSTNKCGW-XMMPIXPASA-N
XLogP3.18
TPSA118.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[5-[(1R)-2-methyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)amino]propyl]tetrazol-1-yl]acetate 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

ethyl 2-[5-[1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)amino]-2-methylpropyl]tetrazol-1-yl]acetate
CID 3203393
ethyl 2-[5-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)amino]-2-methylpropyl]tetrazol-1-yl]acetate
CID 3204311
ethyl 2-[5-[(1S)-1-[(4-fluorophenyl)methyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]amino]-2-methylpropyl]tetrazol-1-yl]acetate
CID 1438138
3-[[[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1436848
3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 3203354
3-[[[(1S)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1438177
ethyl 2-[5-[2-methyl-1-[2-(2-methylphenyl)ethyl-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]amino]propyl]tetrazol-1-yl]acetate
CID 3204347
3-[[[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1436525
ethyl 2-[5-[2-methyl-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)amino]propyl]tetrazol-1-yl]acetate
CID 3203030
ethyl 2-[5-[[(4-methoxyphenyl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate
CID 1170945
8-methyl-3-[[[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]-(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
CID 3204335
3-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(pyridin-3-ylmethyl)amino]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 3203284

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[(1R)-2-methyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)amino]propyl]tetrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-[(1R)-2-methyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)amino]propyl]tetrazol-1-yl]acetate (CID 1438145) is ethyl 2-[5-[(1R)-2-methyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)amino]propyl]tetrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[(1R)-2-methyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)amino]propyl]tetrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-[(1R)-2-methyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)amino]propyl]tetrazol-1-yl]acetate is CCOC(=O)Cn1nnnc1[C@@H](C(C)C)N(Cc1cccnc1)Cc1cc2cccc(C)c2[nH]c1=O.
What is the InChIKey of ethyl 2-[5-[(1R)-2-methyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)amino]propyl]tetrazol-1-yl]acetate?
The InChIKey is FATCYLSSTNKCGW-XMMPIXPASA-N. The full InChI is InChI=1S/C26H31N7O3/c1-5-36-22(34)16-33-25(29-30-31-33)24(17(2)3)32(14-19-9-7-11-27-13-19)15-21-12-20-10-6-8-18(4)23(20)28-26(21)35/h6-13,17,24H,5,14-16H2,1-4H3,(H,28,35)/t24-/m1/s1.
What are the key properties of ethyl 2-[5-[(1R)-2-methyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)amino]propyl]tetrazol-1-yl]acetate?
ethyl 2-[5-[(1R)-2-methyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)amino]propyl]tetrazol-1-yl]acetate has a molecular weight of 489.58 g/mol, XLogP of 3.18, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[(1R)-2-methyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)amino]propyl]tetrazol-1-yl]acetate is sourced from PubChem (CID 1438145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).