3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one

C26H30N6O2 — CID 3183257

IUPAC3-[3,4-dihydro-2H-quinolin-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)N1CCCc2ccccc21
InChIInChI=1S/C26H30N6O2/c1-5-26(2,3)32-24(28-29-30-32)23(31-14-8-10-17-9-6-7-11-22(17)31)20-16-18-15-19(34-4)12-13-21(18)27-25(20)33/h6-7,9,11-13,15-16,23H,5,8,10,14H2,1-4H3,(H,27,33)
InChIKeyVJJCHHBOWZPPCE-UHFFFAOYSA-N
MW458.57 g/mol
LogP4.21
Rot. Bonds6

About 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one

3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one (PubChem CID 3183257) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
PubChem CID3183257
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name3-[3,4-dihydro-2H-quinolin-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)N1CCCc2ccccc21
InChIInChI=1S/C26H30N6O2/c1-5-26(2,3)32-24(28-29-30-32)23(31-14-8-10-17-9-6-7-11-22(17)31)20-16-18-15-19(34-4)12-13-21(18)27-25(20)33/h6-7,9,11-13,15-16,23H,5,8,10,14H2,1-4H3,(H,27,33)
InChIKeyVJJCHHBOWZPPCE-UHFFFAOYSA-N
XLogP4.21
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3183457
3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 647208
3-[(S)-3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 1157698
3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 3182522
3-[(R)-2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 1157666
3-[(1-tert-butyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 3150036
3-[(R)-3,4-dihydro-2H-quinolin-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 1157894
3-[(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methoxy-1H-quinolin-2-one
CID 3187798
7-[(R)-2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 6551337
3-[(R)-(4-hydroxypiperidin-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 1159649
3-[(S)-3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 40581756
3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1160335

Frequently Asked Questions

What is the IUPAC name of 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one (CID 3183257) is 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[3,4-dihydro-2H-quinolin-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)N1CCCc2ccccc21.
What is the InChIKey of 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one?
The InChIKey is VJJCHHBOWZPPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-5-26(2,3)32-24(28-29-30-32)23(31-14-8-10-17-9-6-7-11-22(17)31)20-16-18-15-19(34-4)12-13-21(18)27-25(20)33/h6-7,9,11-13,15-16,23H,5,8,10,14H2,1-4H3,(H,27,33).
What are the key properties of 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one?
3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one has a molecular weight of 458.57 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 3183257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).