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

C13H11ClN4O — CID 103703190

IUPAC7-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine
SMILESCc1nc(CNc2ccnc3cc(Cl)ccc23)no1
InChIInChI=1S/C13H11ClN4O/c1-8-17-13(18-19-8)7-16-11-4-5-15-12-6-9(14)2-3-10(11)12/h2-6H,7H2,1H3,(H,15,16)
InChIKeyJIFSFILLXJRNFX-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.19
Rot. Bonds3

About 7-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine

7-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine (PubChem CID 103703190) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 7-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine
PubChem CID103703190
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name7-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine
SMILESCc1nc(CNc2ccnc3cc(Cl)ccc23)no1
InChIInChI=1S/C13H11ClN4O/c1-8-17-13(18-19-8)7-16-11-4-5-15-12-6-9(14)2-3-10(11)12/h2-6H,7H2,1H3,(H,15,16)
InChIKeyJIFSFILLXJRNFX-UHFFFAOYSA-N
XLogP3.19
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine
CID 106374323
CID 10433026
CID 10433026
7-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]quinolin-4-amine
CID 133347532
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
CID 10409748
CID 10409748
N-butyl-7-chloroquinolin-4-amine
CID 10037042
2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103742013
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
N-(7-chloroquinolin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 11644996
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
6-chloro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine
CID 133463510

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine (CID 103703190) is 7-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine is Cc1nc(CNc2ccnc3cc(Cl)ccc23)no1.
What is the InChIKey of 7-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine?
The InChIKey is JIFSFILLXJRNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-8-17-13(18-19-8)7-16-11-4-5-15-12-6-9(14)2-3-10(11)12/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 7-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine?
7-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine has a molecular weight of 274.71 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 103703190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).