6-methoxy-3-[[4-(oxan-3-yl)triazol-1-yl]methyl]-1H-quinolin-2-one

C18H20N4O3 — CID 167805470

IUPAC6-methoxy-3-[[4-(oxan-3-yl)triazol-1-yl]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(Cn3cc(C4CCCOC4)nn3)cc2c1
InChIInChI=1S/C18H20N4O3/c1-24-15-4-5-16-13(8-15)7-14(18(23)19-16)9-22-10-17(20-21-22)12-3-2-6-25-11-12/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3,(H,19,23)
InChIKeyCBDFQSHHZITQRT-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.07
Rot. Bonds4

About 6-methoxy-3-[[4-(oxan-3-yl)triazol-1-yl]methyl]-1H-quinolin-2-one

6-methoxy-3-[[4-(oxan-3-yl)triazol-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 167805470) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-methoxy-3-[[4-(oxan-3-yl)triazol-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-[[4-(oxan-3-yl)triazol-1-yl]methyl]-1H-quinolin-2-one
PubChem CID167805470
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name6-methoxy-3-[[4-(oxan-3-yl)triazol-1-yl]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(Cn3cc(C4CCCOC4)nn3)cc2c1
InChIInChI=1S/C18H20N4O3/c1-24-15-4-5-16-13(8-15)7-14(18(23)19-16)9-22-10-17(20-21-22)12-3-2-6-25-11-12/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3,(H,19,23)
InChIKeyCBDFQSHHZITQRT-UHFFFAOYSA-N
XLogP2.07
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-3-[[4-(oxan-3-yl)triazol-1-yl]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

2-[[4-[(3S)-oxolan-3-yl]triazol-1-yl]methyl]-1H-indole
CID 97154603
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium
CID 7107871
3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 3186331
(2R)-N-(4-ethoxyphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 1395949
3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 1463977
3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one
CID 53174775
1-methyl-4-[(3R)-oxan-3-yl]triazole
CID 164914057
6-methoxy-3-[[(4-methylphenyl)methyl-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 656258
3-ethyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)thiourea
CID 3172332
3-[[[(1S)-1-(1-cyclohexyltetrazol-5-yl)propyl]-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 124899650
3-[[[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 3203077

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[[4-(oxan-3-yl)triazol-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-[[4-(oxan-3-yl)triazol-1-yl]methyl]-1H-quinolin-2-one (CID 167805470) is 6-methoxy-3-[[4-(oxan-3-yl)triazol-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-[[4-(oxan-3-yl)triazol-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-[[4-(oxan-3-yl)triazol-1-yl]methyl]-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(Cn3cc(C4CCCOC4)nn3)cc2c1.
What is the InChIKey of 6-methoxy-3-[[4-(oxan-3-yl)triazol-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is CBDFQSHHZITQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-24-15-4-5-16-13(8-15)7-14(18(23)19-16)9-22-10-17(20-21-22)12-3-2-6-25-11-12/h4-5,7-8,10,12H,2-3,6,9,11H2,1H3,(H,19,23).
What are the key properties of 6-methoxy-3-[[4-(oxan-3-yl)triazol-1-yl]methyl]-1H-quinolin-2-one?
6-methoxy-3-[[4-(oxan-3-yl)triazol-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 340.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[[4-(oxan-3-yl)triazol-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 167805470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).