N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine

C12H10N4O — CID 106402958

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine
SMILESc1ccc2c(NCc3ncon3)ccnc2c1
InChIInChI=1S/C12H10N4O/c1-2-4-10-9(3-1)11(5-6-13-10)14-7-12-15-8-17-16-12/h1-6,8H,7H2,(H,13,14)
InChIKeyQSYQBGHEAAYAKT-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.23
Rot. Bonds3

About N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine

N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine (PubChem CID 106402958) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine
PubChem CID106402958
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine
SMILESc1ccc2c(NCc3ncon3)ccnc2c1
InChIInChI=1S/C12H10N4O/c1-2-4-10-9(3-1)11(5-6-13-10)14-7-12-15-8-17-16-12/h1-6,8H,7H2,(H,13,14)
InChIKeyQSYQBGHEAAYAKT-UHFFFAOYSA-N
XLogP2.23
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 138692739
N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 67723222
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]quinolin-4-amine
CID 103883678
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine
CID 78954722
7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine
CID 106403276
N-ethylquinolin-4-amine
CID 15306588
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine
CID 106405493
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 114184358
N-[(2-methylpyrimidin-4-yl)methyl]quinolin-4-amine
CID 61341548
2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine
CID 106411968
4-(1,2,4-oxadiazol-3-ylmethylamino)cinnoline-3-carbonitrile
CID 106403462
2-(1,2,4-oxadiazol-3-ylmethylamino)benzoic acid
CID 106400670

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine (CID 106402958) is N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine is c1ccc2c(NCc3ncon3)ccnc2c1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine?
The InChIKey is QSYQBGHEAAYAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-2-4-10-9(3-1)11(5-6-13-10)14-7-12-15-8-17-16-12/h1-6,8H,7H2,(H,13,14).
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine?
N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine has a molecular weight of 226.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine is sourced from PubChem (CID 106402958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).