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

C25H28N6O2 — CID 649332

IUPAC3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
SMILESCCC(C)(C)n1nnnc1C(c1cc2cc(OC)ccc2[nH]c1=O)N1CCc2ccccc21
InChIInChI=1S/C25H28N6O2/c1-5-25(2,3)31-23(27-28-29-31)22(30-13-12-16-8-6-7-9-21(16)30)19-15-17-14-18(33-4)10-11-20(17)26-24(19)32/h6-11,14-15,22H,5,12-13H2,1-4H3,(H,26,32)
InChIKeyKDJVJLPLLJKXDP-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.82
Rot. Bonds6

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

3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one (PubChem CID 649332) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
PubChem CID649332
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
SMILESCCC(C)(C)n1nnnc1C(c1cc2cc(OC)ccc2[nH]c1=O)N1CCc2ccccc21
InChIInChI=1S/C25H28N6O2/c1-5-25(2,3)31-23(27-28-29-31)22(30-13-12-16-8-6-7-9-21(16)30)19-15-17-14-18(33-4)10-11-20(17)26-24(19)32/h6-11,14-15,22H,5,12-13H2,1-4H3,(H,26,32)
InChIKeyKDJVJLPLLJKXDP-UHFFFAOYSA-N
XLogP3.82
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one (CID 649332) is 3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-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-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one is CCC(C)(C)n1nnnc1C(c1cc2cc(OC)ccc2[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-methoxy-1H-quinolin-2-one?
The InChIKey is KDJVJLPLLJKXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-5-25(2,3)31-23(27-28-29-31)22(30-13-12-16-8-6-7-9-21(16)30)19-15-17-14-18(33-4)10-11-20(17)26-24(19)32/h6-11,14-15,22H,5,12-13H2,1-4H3,(H,26,32).
What are the key properties of 3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one?
3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one has a molecular weight of 444.54 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 649332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).