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

C14H13ClN4O — CID 133463510

IUPAC6-chloro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine
SMILESCc1nc(CN(C)c2ccnc3ccc(Cl)cc23)no1
InChIInChI=1S/C14H13ClN4O/c1-9-17-14(18-20-9)8-19(2)13-5-6-16-12-4-3-10(15)7-11(12)13/h3-7H,8H2,1-2H3
InChIKeyWQXMMRMCMGIMSO-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.22
Rot. Bonds3

About 6-chloro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine

6-chloro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine (PubChem CID 133463510) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine
PubChem CID133463510
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name6-chloro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine
SMILESCc1nc(CN(C)c2ccnc3ccc(Cl)cc23)no1
InChIInChI=1S/C14H13ClN4O/c1-9-17-14(18-20-9)8-19(2)13-5-6-16-12-4-3-10(15)7-11(12)13/h3-7H,8H2,1-2H3
InChIKeyWQXMMRMCMGIMSO-UHFFFAOYSA-N
XLogP3.22
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine
CID 103703190
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
2-[(6-chloroquinolin-4-yl)-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 133339048
N-[3-[(6-chloroquinolin-4-yl)-methylamino]propyl]acetamide
CID 133303992
3-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133463386
2-[(6-chloroquinolin-4-yl)-ethylamino]ethanol
CID 110434356
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
3-[[8-chloro-1-(2,2-difluorobutyl)imidazo[4,5-c]quinolin-2-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 126682224
4-chloro-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)benzene-1,2-diamine
CID 107466001
1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol
CID 55061126
5-chloro-N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine
CID 133463400
2-(2,4-dichlorophenoxy)-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 72847611

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine (CID 133463510) is 6-chloro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine is Cc1nc(CN(C)c2ccnc3ccc(Cl)cc23)no1.
What is the InChIKey of 6-chloro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine?
The InChIKey is WQXMMRMCMGIMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-9-17-14(18-20-9)8-19(2)13-5-6-16-12-4-3-10(15)7-11(12)13/h3-7H,8H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine?
6-chloro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine has a molecular weight of 288.74 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 133463510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).