ethyl 2-[5-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)amino]-2-methylpropyl]tetrazol-1-yl]acetate

C26H32N6O4 — CID 3204311

IUPACethyl 2-[5-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)amino]-2-methylpropyl]tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1C(C(C)C)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C26H32N6O4/c1-6-35-22(33)15-32-25(28-29-30-32)24(16(2)3)31(14-21-8-7-9-36-21)13-20-12-19-11-17(4)10-18(5)23(19)27-26(20)34/h7-12,16,24H,6,13-15H2,1-5H3,(H,27,34)
InChIKeyQMBCFUAKMFRXKS-UHFFFAOYSA-N
MW492.58 g/mol
LogP3.69
Rot. Bonds10

About ethyl 2-[5-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)amino]-2-methylpropyl]tetrazol-1-yl]acetate

ethyl 2-[5-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)amino]-2-methylpropyl]tetrazol-1-yl]acetate (PubChem CID 3204311) has the molecular formula C26H32N6O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is ethyl 2-[5-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)amino]-2-methylpropyl]tetrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)amino]-2-methylpropyl]tetrazol-1-yl]acetate
PubChem CID3204311
Molecular FormulaC26H32N6O4
Molecular Weight492.58 g/mol
Exact Mass492.25
IUPAC Nameethyl 2-[5-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)amino]-2-methylpropyl]tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1C(C(C)C)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C26H32N6O4/c1-6-35-22(33)15-32-25(28-29-30-32)24(16(2)3)31(14-21-8-7-9-36-21)13-20-12-19-11-17(4)10-18(5)23(19)27-26(20)34/h7-12,16,24H,6,13-15H2,1-5H3,(H,27,34)
InChIKeyQMBCFUAKMFRXKS-UHFFFAOYSA-N
XLogP3.69
TPSA119.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[5-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)amino]-2-methylpropyl]tetrazol-1-yl]acetate with MolForge

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Related Compounds

3-[[furan-2-ylmethyl-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3204306
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
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-[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-[1-[1,3-benzodioxol-5-ylmethyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl]tetrazol-1-yl]acetate
CID 3200984
3-[[[(1S)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1436863
3-[[furan-2-ylmethyl-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]amino]methyl]-8-methyl-1H-quinolin-2-one
CID 124899540
3-[[[(1R)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1437994
3-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]propyl-[(4-methoxyphenyl)methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 3200955
3-[[[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
CID 3204292
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-[[[1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-(furan-2-ylmethyl)amino]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 3203374

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)amino]-2-methylpropyl]tetrazol-1-yl]acetate?
The IUPAC name of 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) is ethyl 2-[5-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)amino]-2-methylpropyl]tetrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)amino]-2-methylpropyl]tetrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)amino]-2-methylpropyl]tetrazol-1-yl]acetate is CCOC(=O)Cn1nnnc1C(C(C)C)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O.
What is the InChIKey of ethyl 2-[5-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)amino]-2-methylpropyl]tetrazol-1-yl]acetate?
The InChIKey is QMBCFUAKMFRXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4/c1-6-35-22(33)15-32-25(28-29-30-32)24(16(2)3)31(14-21-8-7-9-36-21)13-20-12-19-11-17(4)10-18(5)23(19)27-26(20)34/h7-12,16,24H,6,13-15H2,1-5H3,(H,27,34).
What are the key properties of ethyl 2-[5-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)amino]-2-methylpropyl]tetrazol-1-yl]acetate?
ethyl 2-[5-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)amino]-2-methylpropyl]tetrazol-1-yl]acetate has a molecular weight of 492.58 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)amino]-2-methylpropyl]tetrazol-1-yl]acetate is sourced from PubChem (CID 3204311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).