3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one

C26H30N6O3 — CID 645500

IUPAC3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
SMILESCCC(C)(C)n1nnnc1C(c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCc2ccccc21
InChIInChI=1S/C26H30N6O3/c1-6-26(2,3)32-24(28-29-30-32)23(31-12-11-16-9-7-8-10-20(16)31)18-13-17-14-21(34-4)22(35-5)15-19(17)27-25(18)33/h7-10,13-15,23H,6,11-12H2,1-5H3,(H,27,33)
InChIKeyNROSQGDLFNHQBX-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.83
Rot. Bonds7

About 3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one

3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one (PubChem CID 645500) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
PubChem CID645500
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
SMILESCCC(C)(C)n1nnnc1C(c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCc2ccccc21
InChIInChI=1S/C26H30N6O3/c1-6-26(2,3)32-24(28-29-30-32)23(31-12-11-16-9-7-8-10-20(16)31)18-13-17-14-21(34-4)22(35-5)15-19(17)27-25(18)33/h7-10,13-15,23H,6,11-12H2,1-5H3,(H,27,33)
InChIKeyNROSQGDLFNHQBX-UHFFFAOYSA-N
XLogP3.83
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one?
The IUPAC name of 3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one (CID 645500) is 3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one is CCC(C)(C)n1nnnc1C(c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CCc2ccccc21.
What is the InChIKey of 3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one?
The InChIKey is NROSQGDLFNHQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-6-26(2,3)32-24(28-29-30-32)23(31-12-11-16-9-7-8-10-20(16)31)18-13-17-14-21(34-4)22(35-5)15-19(17)27-25(18)33/h7-10,13-15,23H,6,11-12H2,1-5H3,(H,27,33).
What are the key properties of 3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one?
3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one has a molecular weight of 474.57 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one is sourced from PubChem (CID 645500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).