6-hydroxy-1-methyl-3-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]tetrazol-5-yl]quinolin-2-one

C28H22N6O3 — CID 15481607

IUPAC6-hydroxy-1-methyl-3-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]tetrazol-5-yl]quinolin-2-one
SMILESCn1c(=O)c(-c2nnn(Cc3cccc(OCc4ccc5ccccc5n4)c3)n2)cc2cc(O)ccc21
InChIInChI=1S/C28H22N6O3/c1-33-26-12-11-22(35)14-20(26)15-24(28(33)36)27-30-32-34(31-27)16-18-5-4-7-23(13-18)37-17-21-10-9-19-6-2-3-8-25(19)29-21/h2-15,35H,16-17H2,1H3
InChIKeyZMVAVLFGDJOTJO-UHFFFAOYSA-N
MW490.52 g/mol
LogP4.07
Rot. Bonds6

About 6-hydroxy-1-methyl-3-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]tetrazol-5-yl]quinolin-2-one

6-hydroxy-1-methyl-3-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]tetrazol-5-yl]quinolin-2-one (PubChem CID 15481607) has the molecular formula C28H22N6O3 and a molecular weight of 490.52 g/mol. Its IUPAC name is 6-hydroxy-1-methyl-3-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]tetrazol-5-yl]quinolin-2-one.

Molecular Properties

Compound Name6-hydroxy-1-methyl-3-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]tetrazol-5-yl]quinolin-2-one
PubChem CID15481607
Molecular FormulaC28H22N6O3
Molecular Weight490.52 g/mol
Exact Mass490.18
IUPAC Name6-hydroxy-1-methyl-3-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]tetrazol-5-yl]quinolin-2-one
SMILESCn1c(=O)c(-c2nnn(Cc3cccc(OCc4ccc5ccccc5n4)c3)n2)cc2cc(O)ccc21
InChIInChI=1S/C28H22N6O3/c1-33-26-12-11-22(35)14-20(26)15-24(28(33)36)27-30-32-34(31-27)16-18-5-4-7-23(13-18)37-17-21-10-9-19-6-2-3-8-25(19)29-21/h2-15,35H,16-17H2,1H3
InChIKeyZMVAVLFGDJOTJO-UHFFFAOYSA-N
XLogP4.07
TPSA107.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-methyl-3-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]tetrazol-5-yl]quinolin-2-one?
The IUPAC name of 6-hydroxy-1-methyl-3-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]tetrazol-5-yl]quinolin-2-one (CID 15481607) is 6-hydroxy-1-methyl-3-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]tetrazol-5-yl]quinolin-2-one.
What is the SMILES notation for 6-hydroxy-1-methyl-3-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]tetrazol-5-yl]quinolin-2-one?
The canonical SMILES for 6-hydroxy-1-methyl-3-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]tetrazol-5-yl]quinolin-2-one is Cn1c(=O)c(-c2nnn(Cc3cccc(OCc4ccc5ccccc5n4)c3)n2)cc2cc(O)ccc21.
What is the InChIKey of 6-hydroxy-1-methyl-3-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]tetrazol-5-yl]quinolin-2-one?
The InChIKey is ZMVAVLFGDJOTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6O3/c1-33-26-12-11-22(35)14-20(26)15-24(28(33)36)27-30-32-34(31-27)16-18-5-4-7-23(13-18)37-17-21-10-9-19-6-2-3-8-25(19)29-21/h2-15,35H,16-17H2,1H3.
What are the key properties of 6-hydroxy-1-methyl-3-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]tetrazol-5-yl]quinolin-2-one?
6-hydroxy-1-methyl-3-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]tetrazol-5-yl]quinolin-2-one has a molecular weight of 490.52 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-methyl-3-[2-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]tetrazol-5-yl]quinolin-2-one is sourced from PubChem (CID 15481607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).