N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine

C13H12N4O — CID 113243841

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine
SMILESCc1nc(CNc2ccc3ccccc3n2)no1
InChIInChI=1S/C13H12N4O/c1-9-15-13(17-18-9)8-14-12-7-6-10-4-2-3-5-11(10)16-12/h2-7H,8H2,1H3,(H,14,16)
InChIKeyDQGRVAVOJBYSFZ-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.54
Rot. Bonds3

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine (PubChem CID 113243841) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine
PubChem CID113243841
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine
SMILESCc1nc(CNc2ccc3ccccc3n2)no1
InChIInChI=1S/C13H12N4O/c1-9-15-13(17-18-9)8-14-12-7-6-10-4-2-3-5-11(10)16-12/h2-7H,8H2,1H3,(H,14,16)
InChIKeyDQGRVAVOJBYSFZ-UHFFFAOYSA-N
XLogP2.54
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
CID 106411587
2-N-ethyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
CID 106411661
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-nitroquinolin-2-amine
CID 103703230
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 114184263
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-2-amine
CID 103883776
N-[(4,5-dimethylthiophen-2-yl)methyl]quinolin-2-amine
CID 65244096
methyl 2-methyl-6-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylate
CID 103847119
2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-amine
CID 106405358
2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 113252882
2-N-ethyl-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 114185472
4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746517
2-N-methyl-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 106411584

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine (CID 113243841) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine is Cc1nc(CNc2ccc3ccccc3n2)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine?
The InChIKey is DQGRVAVOJBYSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9-15-13(17-18-9)8-14-12-7-6-10-4-2-3-5-11(10)16-12/h2-7H,8H2,1H3,(H,14,16).
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine has a molecular weight of 240.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine is sourced from PubChem (CID 113243841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).