3-[2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one

C29H28N6O2 — CID 3183170

IUPAC3-[2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCOc1ccc(Cn2nnnc2C(c2cc3cc(C)c(C)cc3[nH]c2=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C29H28N6O2/c1-18-14-22-16-24(29(36)30-25(22)15-19(18)2)27(34-13-12-21-6-4-5-7-26(21)34)28-31-32-33-35(28)17-20-8-10-23(37-3)11-9-20/h4-11,14-16,27H,12-13,17H2,1-3H3,(H,30,36)
InChIKeyZWKXZJQXWKVXHD-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.34
Rot. Bonds6

About 3-[2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one

3-[2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one (PubChem CID 3183170) has the molecular formula C29H28N6O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is 3-[2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
PubChem CID3183170
Molecular FormulaC29H28N6O2
Molecular Weight492.58 g/mol
Exact Mass492.23
IUPAC Name3-[2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCOc1ccc(Cn2nnnc2C(c2cc3cc(C)c(C)cc3[nH]c2=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C29H28N6O2/c1-18-14-22-16-24(29(36)30-25(22)15-19(18)2)27(34-13-12-21-6-4-5-7-26(21)34)28-31-32-33-35(28)17-20-8-10-23(37-3)11-9-20/h4-11,14-16,27H,12-13,17H2,1-3H3,(H,30,36)
InChIKeyZWKXZJQXWKVXHD-UHFFFAOYSA-N
XLogP4.34
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[(S)-2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 1157669
3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 1160049
3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1160335
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
8-[3,4-dihydro-2H-quinolin-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
CID 3852291
3-[(R)-2,3-dihydroindol-1-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1455888
3-[(1-benzyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 3176482
3-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1159401
3-[2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 3182512
3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3183143
3-[(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3150308
3-[(S)-2,3-dihydroindol-1-yl-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 40586984

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one (CID 3183170) is 3-[2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one is COc1ccc(Cn2nnnc2C(c2cc3cc(C)c(C)cc3[nH]c2=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 3-[2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The InChIKey is ZWKXZJQXWKVXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O2/c1-18-14-22-16-24(29(36)30-25(22)15-19(18)2)27(34-13-12-21-6-4-5-7-26(21)34)28-31-32-33-35(28)17-20-8-10-23(37-3)11-9-20/h4-11,14-16,27H,12-13,17H2,1-3H3,(H,30,36).
What are the key properties of 3-[2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one?
3-[2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one has a molecular weight of 492.58 g/mol, XLogP of 4.34, 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-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 3183170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).