6-methoxy-3-[[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1H-quinolin-2-one

C18H22N4O3 — CID 56700693

IUPAC6-methoxy-3-[[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CN(C)Cc3noc(C(C)C)n3)cc2c1
InChIInChI=1S/C18H22N4O3/c1-11(2)18-20-16(21-25-18)10-22(3)9-13-7-12-8-14(24-4)5-6-15(12)19-17(13)23/h5-8,11H,9-10H2,1-4H3,(H,19,23)
InChIKeyIZFXWGCXJUUKHC-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.68
Rot. Bonds6

About 6-methoxy-3-[[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1H-quinolin-2-one

6-methoxy-3-[[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 56700693) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-methoxy-3-[[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-[[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1H-quinolin-2-one
PubChem CID56700693
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name6-methoxy-3-[[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CN(C)Cc3noc(C(C)C)n3)cc2c1
InChIInChI=1S/C18H22N4O3/c1-11(2)18-20-16(21-25-18)10-22(3)9-13-7-12-8-14(24-4)5-6-15(12)19-17(13)23/h5-8,11H,9-10H2,1-4H3,(H,19,23)
InChIKeyIZFXWGCXJUUKHC-UHFFFAOYSA-N
XLogP2.68
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-3-[[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N,3-dimethylbutanamide
CID 907840
4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide
CID 1427706
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 665282
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324860
N-[(2,5-dimethoxyphenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
CID 47070103
2-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide
CID 1427730
1-(3-hydroxypropyl)-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea
CID 3172289
1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)thiourea
CID 1141266
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxy-N-propan-2-ylacetamide
CID 665368
7-methoxy-3-[[methyl(2-morpholin-4-ylpropyl)amino]methyl]-1H-quinolin-2-one
CID 56716187
7-methoxy-3-[[methyl-[(2R)-2-morpholin-4-ylpropyl]amino]methyl]-1H-quinolin-2-one
CID 95213505

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-[[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1H-quinolin-2-one (CID 56700693) is 6-methoxy-3-[[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-[[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-[[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(CN(C)Cc3noc(C(C)C)n3)cc2c1.
What is the InChIKey of 6-methoxy-3-[[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is IZFXWGCXJUUKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11(2)18-20-16(21-25-18)10-22(3)9-13-7-12-8-14(24-4)5-6-15(12)19-17(13)23/h5-8,11H,9-10H2,1-4H3,(H,19,23).
What are the key properties of 6-methoxy-3-[[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1H-quinolin-2-one?
6-methoxy-3-[[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 342.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 56700693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).