2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]quinoline-6-carbonitrile

C15H13N5O — CID 133463393

IUPAC2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]quinoline-6-carbonitrile
SMILESCc1nc(CN(C)c2ccc3cc(C#N)ccc3n2)no1
InChIInChI=1S/C15H13N5O/c1-10-17-14(19-21-10)9-20(2)15-6-4-12-7-11(8-16)3-5-13(12)18-15/h3-7H,9H2,1-2H3
InChIKeySELUBJAVCBVGEF-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.43
Rot. Bonds3

About 2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]quinoline-6-carbonitrile

2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]quinoline-6-carbonitrile (PubChem CID 133463393) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]quinoline-6-carbonitrile.

Molecular Properties

Compound Name2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]quinoline-6-carbonitrile
PubChem CID133463393
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]quinoline-6-carbonitrile
SMILESCc1nc(CN(C)c2ccc3cc(C#N)ccc3n2)no1
InChIInChI=1S/C15H13N5O/c1-10-17-14(19-21-10)9-20(2)15-6-4-12-7-11(8-16)3-5-13(12)18-15/h3-7H,9H2,1-2H3
InChIKeySELUBJAVCBVGEF-UHFFFAOYSA-N
XLogP2.43
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl(oxolan-2-ylmethyl)amino]quinoline-6-carbonitrile
CID 133443913
6-[methyl-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyridine-2-carbonitrile
CID 131908374
5-bromo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 133463332
3-methyl-4-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzonitrile
CID 106397893
5-chloro-N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine
CID 133463400
4-(ethylamino)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile
CID 75516760
3-amino-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 114185745
4-amino-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 106414035
4-[(6-aminoquinolin-2-yl)-methylamino]benzonitrile
CID 62981426
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-amine
CID 133463471
4-methoxy-3-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]benzonitrile
CID 106397885
6-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-amine
CID 133463316

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]quinoline-6-carbonitrile?
The IUPAC name of 2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]quinoline-6-carbonitrile (CID 133463393) is 2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]quinoline-6-carbonitrile.
What is the SMILES notation for 2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]quinoline-6-carbonitrile?
The canonical SMILES for 2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]quinoline-6-carbonitrile is Cc1nc(CN(C)c2ccc3cc(C#N)ccc3n2)no1.
What is the InChIKey of 2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]quinoline-6-carbonitrile?
The InChIKey is SELUBJAVCBVGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-10-17-14(19-21-10)9-20(2)15-6-4-12-7-11(8-16)3-5-13(12)18-15/h3-7H,9H2,1-2H3.
What are the key properties of 2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]quinoline-6-carbonitrile?
2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]quinoline-6-carbonitrile has a molecular weight of 279.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]quinoline-6-carbonitrile is sourced from PubChem (CID 133463393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).