ethyl 2-[5-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-phenylethyl)amino]methyl]tetrazol-1-yl]acetate

C26H30N6O3 — CID 1171065

IUPACethyl 2-[5-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-phenylethyl)amino]methyl]tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1CN(CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C26H30N6O3/c1-4-35-24(33)17-32-23(28-29-30-32)16-31(13-12-20-8-6-5-7-9-20)15-22-14-21-11-10-18(2)19(3)25(21)27-26(22)34/h5-11,14H,4,12-13,15-17H2,1-3H3,(H,27,34)
InChIKeyFNEVNAOMHQHWKK-UHFFFAOYSA-N
MW474.57 g/mol
LogP2.94
Rot. Bonds10

About ethyl 2-[5-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-phenylethyl)amino]methyl]tetrazol-1-yl]acetate

ethyl 2-[5-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-phenylethyl)amino]methyl]tetrazol-1-yl]acetate (PubChem CID 1171065) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is ethyl 2-[5-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-phenylethyl)amino]methyl]tetrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-phenylethyl)amino]methyl]tetrazol-1-yl]acetate
PubChem CID1171065
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Nameethyl 2-[5-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-phenylethyl)amino]methyl]tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1CN(CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C26H30N6O3/c1-4-35-24(33)17-32-23(28-29-30-32)16-31(13-12-20-8-6-5-7-9-20)15-22-14-21-11-10-18(2)19(3)25(21)27-26(22)34/h5-11,14H,4,12-13,15-17H2,1-3H3,(H,27,34)
InChIKeyFNEVNAOMHQHWKK-UHFFFAOYSA-N
XLogP2.94
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[5-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-phenylethyl)amino]methyl]tetrazol-1-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

3-[[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl-(2-phenylethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1463929
3-[[2-(3,4-dimethoxyphenyl)ethyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1464083
ethyl 2-[5-[[(4-methoxyphenyl)methyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]methyl]tetrazol-1-yl]acetate
CID 1170945
3-[[benzyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1171040
ethyl 2-[5-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]tetrazol-1-yl]acetate
CID 1171562
3-[[3-hydroxypropyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-8-methyl-1H-quinolin-2-one
CID 23800698
3-[[1-(1-benzyltetrazol-5-yl)propyl-(2-phenylethyl)amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 3199992
3-[[2-hydroxyethyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1464228
3-[[furan-2-ylmethyl-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1463983
6-ethoxy-3-[[2-phenylethyl-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 3200642
3-[[2-(3,4-dimethoxyphenyl)ethyl-[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]amino]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 1171024
3-[[(1-benzyltetrazol-5-yl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1171251

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-phenylethyl)amino]methyl]tetrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-phenylethyl)amino]methyl]tetrazol-1-yl]acetate (CID 1171065) is ethyl 2-[5-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-phenylethyl)amino]methyl]tetrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-phenylethyl)amino]methyl]tetrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-phenylethyl)amino]methyl]tetrazol-1-yl]acetate is CCOC(=O)Cn1nnnc1CN(CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O.
What is the InChIKey of ethyl 2-[5-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-phenylethyl)amino]methyl]tetrazol-1-yl]acetate?
The InChIKey is FNEVNAOMHQHWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-4-35-24(33)17-32-23(28-29-30-32)16-31(13-12-20-8-6-5-7-9-20)15-22-14-21-11-10-18(2)19(3)25(21)27-26(22)34/h5-11,14H,4,12-13,15-17H2,1-3H3,(H,27,34).
What are the key properties of ethyl 2-[5-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-phenylethyl)amino]methyl]tetrazol-1-yl]acetate?
ethyl 2-[5-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-phenylethyl)amino]methyl]tetrazol-1-yl]acetate has a molecular weight of 474.57 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-phenylethyl)amino]methyl]tetrazol-1-yl]acetate is sourced from PubChem (CID 1171065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).