ethyl 2-[5-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]tetrazol-1-yl]acetate

C25H28N6O5 — CID 1171562

IUPACethyl 2-[5-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O
InChIInChI=1S/C25H28N6O5/c1-4-36-24(32)16-31-23(27-28-29-31)15-30(13-17-5-8-20(34-2)9-6-17)14-19-11-18-7-10-21(35-3)12-22(18)26-25(19)33/h5-12H,4,13-16H2,1-3H3,(H,26,33)
InChIKeyCPBPGRMCVUXACU-UHFFFAOYSA-N
MW492.54 g/mol
LogP2.30
Rot. Bonds11

About ethyl 2-[5-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]tetrazol-1-yl]acetate

ethyl 2-[5-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]tetrazol-1-yl]acetate (PubChem CID 1171562) has the molecular formula C25H28N6O5 and a molecular weight of 492.54 g/mol. Its IUPAC name is ethyl 2-[5-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]tetrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]tetrazol-1-yl]acetate
PubChem CID1171562
Molecular FormulaC25H28N6O5
Molecular Weight492.54 g/mol
Exact Mass492.21
IUPAC Nameethyl 2-[5-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O
InChIInChI=1S/C25H28N6O5/c1-4-36-24(32)16-31-23(27-28-29-31)15-30(13-17-5-8-20(34-2)9-6-17)14-19-11-18-7-10-21(35-3)12-22(18)26-25(19)33/h5-12H,4,13-16H2,1-3H3,(H,26,33)
InChIKeyCPBPGRMCVUXACU-UHFFFAOYSA-N
XLogP2.30
TPSA124.46 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 2-[5-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]tetrazol-1-yl]acetate with MolForge

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Related Compounds

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-[[(4-methoxyphenyl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate
CID 1170945
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-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]tetrazol-1-yl]acetate
CID 1171565
ethyl 2-[5-[[cyclopentyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate
CID 1171569
7-methoxy-3-[[[1-(2-methoxyethyl)tetrazol-5-yl]methyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one
CID 3199047
7-methoxy-3-[[(4-methoxyphenyl)methyl-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 1171486
3-[[(4-methoxyphenyl)methyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 1464033
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
3-[[benzyl-[(1-tert-butyltetrazol-5-yl)methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 1171472
6,7-dimethoxy-3-[[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl-[(4-methylphenyl)methyl]amino]methyl]-1H-quinolin-2-one
CID 1464290

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]tetrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]tetrazol-1-yl]acetate (CID 1171562) is ethyl 2-[5-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]tetrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]tetrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]tetrazol-1-yl]acetate is CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O.
What is the InChIKey of ethyl 2-[5-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]tetrazol-1-yl]acetate?
The InChIKey is CPBPGRMCVUXACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O5/c1-4-36-24(32)16-31-23(27-28-29-31)15-30(13-17-5-8-20(34-2)9-6-17)14-19-11-18-7-10-21(35-3)12-22(18)26-25(19)33/h5-12H,4,13-16H2,1-3H3,(H,26,33).
What are the key properties of ethyl 2-[5-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]tetrazol-1-yl]acetate?
ethyl 2-[5-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]tetrazol-1-yl]acetate has a molecular weight of 492.54 g/mol, XLogP of 2.30, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]tetrazol-1-yl]acetate is sourced from PubChem (CID 1171562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).