6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine

C18H20N4O2 — CID 50748624

IUPAC6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine
SMILESCc1ccc2nc(NCC3CCCO3)c(-c3noc(C)n3)cc2c1
InChIInChI=1S/C18H20N4O2/c1-11-5-6-16-13(8-11)9-15(18-20-12(2)24-22-18)17(21-16)19-10-14-4-3-7-23-14/h5-6,8-9,14H,3-4,7,10H2,1-2H3,(H,19,21)
InChIKeyABJLRNMGCVZNJK-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.49
Rot. Bonds4

About 6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine

6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine (PubChem CID 50748624) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine.

Molecular Properties

Compound Name6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine
PubChem CID50748624
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine
SMILESCc1ccc2nc(NCC3CCCO3)c(-c3noc(C)n3)cc2c1
InChIInChI=1S/C18H20N4O2/c1-11-5-6-16-13(8-11)9-15(18-20-12(2)24-22-18)17(21-16)19-10-14-4-3-7-23-14/h5-6,8-9,14H,3-4,7,10H2,1-2H3,(H,19,21)
InChIKeyABJLRNMGCVZNJK-UHFFFAOYSA-N
XLogP3.49
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
2,5-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 43403445
N'-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54807972
N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 42166246
3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
4-N-(2,5-dimethylphenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870079
3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 50806151
3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
CID 65419059
6,7-dimethoxy-2-(3-methylphenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 117090820
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 29273850
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 92888719
3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine
CID 62476856

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine?
The IUPAC name of 6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine (CID 50748624) is 6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine.
What is the SMILES notation for 6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine?
The canonical SMILES for 6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine is Cc1ccc2nc(NCC3CCCO3)c(-c3noc(C)n3)cc2c1.
What is the InChIKey of 6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine?
The InChIKey is ABJLRNMGCVZNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-5-6-16-13(8-11)9-15(18-20-12(2)24-22-18)17(21-16)19-10-14-4-3-7-23-14/h5-6,8-9,14H,3-4,7,10H2,1-2H3,(H,19,21).
What are the key properties of 6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine?
6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine has a molecular weight of 324.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxolan-2-ylmethyl)quinolin-2-amine is sourced from PubChem (CID 50748624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).