ethyl 2-[5-[[(4-methoxyphenyl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate

C25H28N6O4 — CID 1170945

IUPACethyl 2-[5-[[(4-methoxyphenyl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C25H28N6O4/c1-4-35-23(32)16-31-22(27-28-29-31)15-30(13-18-8-10-21(34-3)11-9-18)14-20-12-19-7-5-6-17(2)24(19)26-25(20)33/h5-12H,4,13-16H2,1-3H3,(H,26,33)
InChIKeyUXGPYZFBEQPTPL-UHFFFAOYSA-N
MW476.54 g/mol
LogP2.60
Rot. Bonds10

About ethyl 2-[5-[[(4-methoxyphenyl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate

ethyl 2-[5-[[(4-methoxyphenyl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate (PubChem CID 1170945) has the molecular formula C25H28N6O4 and a molecular weight of 476.54 g/mol. Its IUPAC name is ethyl 2-[5-[[(4-methoxyphenyl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[[(4-methoxyphenyl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate
PubChem CID1170945
Molecular FormulaC25H28N6O4
Molecular Weight476.54 g/mol
Exact Mass476.22
IUPAC Nameethyl 2-[5-[[(4-methoxyphenyl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C25H28N6O4/c1-4-35-23(32)16-31-22(27-28-29-31)15-30(13-18-8-10-21(34-3)11-9-18)14-20-12-19-7-5-6-17(2)24(19)26-25(20)33/h5-12H,4,13-16H2,1-3H3,(H,26,33)
InChIKeyUXGPYZFBEQPTPL-UHFFFAOYSA-N
XLogP2.60
TPSA115.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[5-[[(4-methoxyphenyl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate with MolForge

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Related Compounds

ethyl 2-[5-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]tetrazol-1-yl]acetate
CID 1171562
ethyl 2-[5-[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]tetrazol-1-yl]acetate
CID 1464240
ethyl 2-[5-[[(4-methoxyphenyl)methyl-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]amino]methyl]tetrazol-1-yl]acetate
CID 1464384
ethyl 2-[5-[[1,3-benzodioxol-5-ylmethyl-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate
CID 1171668
ethyl 2-[5-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-phenylethyl)amino]methyl]tetrazol-1-yl]acetate
CID 1171065
3-[[benzyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1171040
3-[[(4-fluorophenyl)methyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 1171148
ethyl 2-[5-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]tetrazol-1-yl]acetate
CID 1171565
ethyl 2-[5-[[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]tetrazol-1-yl]acetate
CID 1464382
ethyl 2-[5-[[cyclopentyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate
CID 1171569
3-[[(4-fluorophenyl)methyl-[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-8-methyl-1H-quinolin-2-one
CID 1170901
ethyl 2-[5-[[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl-(thiophen-2-ylmethyl)amino]methyl]tetrazol-1-yl]acetate
CID 3200378

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[[(4-methoxyphenyl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-[[(4-methoxyphenyl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate (CID 1170945) is ethyl 2-[5-[[(4-methoxyphenyl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[[(4-methoxyphenyl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-[[(4-methoxyphenyl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate is CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O.
What is the InChIKey of ethyl 2-[5-[[(4-methoxyphenyl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate?
The InChIKey is UXGPYZFBEQPTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4/c1-4-35-23(32)16-31-22(27-28-29-31)15-30(13-18-8-10-21(34-3)11-9-18)14-20-12-19-7-5-6-17(2)24(19)26-25(20)33/h5-12H,4,13-16H2,1-3H3,(H,26,33).
What are the key properties of ethyl 2-[5-[[(4-methoxyphenyl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate?
ethyl 2-[5-[[(4-methoxyphenyl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate has a molecular weight of 476.54 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[[(4-methoxyphenyl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate is sourced from PubChem (CID 1170945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).