6-methoxy-3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one

C26H30N6O4 — CID 652266

IUPAC6-methoxy-3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)Cc3nnnn3CC3CCCO3)cc2c1
InChIInChI=1S/C26H30N6O4/c1-34-21-9-10-23-19(13-21)12-20(26(33)27-23)15-31(14-18-6-3-4-8-24(18)35-2)17-25-28-29-30-32(25)16-22-7-5-11-36-22/h3-4,6,8-10,12-13,22H,5,7,11,14-17H2,1-2H3,(H,27,33)
InChIKeyLPJMIKGVKUXFKJ-UHFFFAOYSA-N
MW490.56 g/mol
LogP2.91
Rot. Bonds10

About 6-methoxy-3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one

6-methoxy-3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 652266) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 6-methoxy-3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
PubChem CID652266
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC Name6-methoxy-3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)Cc3nnnn3CC3CCCO3)cc2c1
InChIInChI=1S/C26H30N6O4/c1-34-21-9-10-23-19(13-21)12-20(26(33)27-23)15-31(14-18-6-3-4-8-24(18)35-2)17-25-28-29-30-32(25)16-22-7-5-11-36-22/h3-4,6,8-10,12-13,22H,5,7,11,14-17H2,1-2H3,(H,27,33)
InChIKeyLPJMIKGVKUXFKJ-UHFFFAOYSA-N
XLogP2.91
TPSA107.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one (CID 652266) is 6-methoxy-3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)Cc3nnnn3CC3CCCO3)cc2c1.
What is the InChIKey of 6-methoxy-3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is LPJMIKGVKUXFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-34-21-9-10-23-19(13-21)12-20(26(33)27-23)15-31(14-18-6-3-4-8-24(18)35-2)17-25-28-29-30-32(25)16-22-7-5-11-36-22/h3-4,6,8-10,12-13,22H,5,7,11,14-17H2,1-2H3,(H,27,33).
What are the key properties of 6-methoxy-3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one?
6-methoxy-3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 490.56 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[[(2-methoxyphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 652266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).