8-methoxy-4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one

C20H24N4O3 — CID 16675154

IUPAC8-methoxy-4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCOc1ccc2cc(C)c3nn(CC(=O)N4CCC(C)CC4)c(=O)n3c2c1
InChIInChI=1S/C20H24N4O3/c1-13-6-8-22(9-7-13)18(25)12-23-20(26)24-17-11-16(27-3)5-4-15(17)10-14(2)19(24)21-23/h4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyLDZVDMQLKUQYOM-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.22
Rot. Bonds3

About 8-methoxy-4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one

8-methoxy-4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 16675154) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 8-methoxy-4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name8-methoxy-4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID16675154
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name8-methoxy-4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCOc1ccc2cc(C)c3nn(CC(=O)N4CCC(C)CC4)c(=O)n3c2c1
InChIInChI=1S/C20H24N4O3/c1-13-6-8-22(9-7-13)18(25)12-23-20(26)24-17-11-16(27-3)5-4-15(17)10-14(2)19(24)21-23/h4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyLDZVDMQLKUQYOM-UHFFFAOYSA-N
XLogP2.22
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-methoxy-4-methyl-2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 16675080
2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 16675096
2-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4,7-dimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 16675235
6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 7671838
7-methoxy-4-methyl-2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 16668795
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
1-(azepan-1-yl)-2-[(8-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
CID 1172095
2-(7-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 126468288
7-methyl-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-12,14-dioxa-2,4,5-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),5,7,9,11(15)-pentaen-3-one
CID 16675158
(E)-3-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 881729
2-[(8-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 3190004
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 55500827

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 8-methoxy-4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 16675154) is 8-methoxy-4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 8-methoxy-4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 8-methoxy-4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one is COc1ccc2cc(C)c3nn(CC(=O)N4CCC(C)CC4)c(=O)n3c2c1.
What is the InChIKey of 8-methoxy-4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is LDZVDMQLKUQYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-6-8-22(9-7-13)18(25)12-23-20(26)24-17-11-16(27-3)5-4-15(17)10-14(2)19(24)21-23/h4-5,10-11,13H,6-9,12H2,1-3H3.
What are the key properties of 8-methoxy-4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one?
8-methoxy-4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 368.44 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 16675154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).