5,8-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one

C27H30N6O2 — CID 3176852

IUPAC5,8-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
SMILESCc1ccc(C)c2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3c4ccccc4CC3C)cc12
InChIInChI=1S/C27H30N6O2/c1-16-10-11-17(2)24-21(16)14-22(27(34)28-24)25(33-18(3)13-19-7-4-5-9-23(19)33)26-29-30-31-32(26)15-20-8-6-12-35-20/h4-5,7,9-11,14,18,20,25H,6,8,12-13,15H2,1-3H3,(H,28,34)
InChIKeyMEOJKMYUUVYWPS-UHFFFAOYSA-N
MW470.58 g/mol
LogP3.85
Rot. Bonds5

About 5,8-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one

5,8-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one (PubChem CID 3176852) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 5,8-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name5,8-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
PubChem CID3176852
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name5,8-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
SMILESCc1ccc(C)c2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3c4ccccc4CC3C)cc12
InChIInChI=1S/C27H30N6O2/c1-16-10-11-17(2)24-21(16)14-22(27(34)28-24)25(33-18(3)13-19-7-4-5-9-23(19)33)26-29-30-31-32(26)15-20-8-6-12-35-20/h4-5,7,9-11,14,18,20,25H,6,8,12-13,15H2,1-3H3,(H,28,34)
InChIKeyMEOJKMYUUVYWPS-UHFFFAOYSA-N
XLogP3.85
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,8-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[(1-cyclopentyltetrazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 3176792
3-[(R)-(1-cyclohexyltetrazol-5-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 100860327
3-[(S)-[4-(2-methoxyphenyl)piperazin-1-yl]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1149069
3-[(4-benzylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 3176838
3-[(S)-(4-benzylpiperidin-1-yl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1149015
3-[(S)-(4-benzylpiperazin-1-yl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1149079
2-methyl-1-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-2,3-dihydroindole
CID 23771389
3-[(R)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1149086
3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 3175336
8-methyl-3-[(S)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one
CID 1145175
8-methyl-3-[(S)-(4-methylpiperazin-1-yl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-1H-quinolin-2-one
CID 1145189
3-[(S)-3,4-dihydro-1H-isoquinolin-2-yl-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 1145732

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 5,8-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one (CID 3176852) is 5,8-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 5,8-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 5,8-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one is Cc1ccc(C)c2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3c4ccccc4CC3C)cc12.
What is the InChIKey of 5,8-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
The InChIKey is MEOJKMYUUVYWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-16-10-11-17(2)24-21(16)14-22(27(34)28-24)25(33-18(3)13-19-7-4-5-9-23(19)33)26-29-30-31-32(26)15-20-8-6-12-35-20/h4-5,7,9-11,14,18,20,25H,6,8,12-13,15H2,1-3H3,(H,28,34).
What are the key properties of 5,8-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
5,8-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one has a molecular weight of 470.58 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-3-[(2-methyl-2,3-dihydroindol-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3176852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).