5-chloro-N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine

C15H15ClN4O — CID 133463400

IUPAC5-chloro-N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine
SMILESCc1nc(CN(C)c2ccc3c(Cl)ccc(C)c3n2)no1
InChIInChI=1S/C15H15ClN4O/c1-9-4-6-12(16)11-5-7-14(18-15(9)11)20(3)8-13-17-10(2)21-19-13/h4-7H,8H2,1-3H3
InChIKeyPTRTZQSWHUMWHT-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.52
Rot. Bonds3

About 5-chloro-N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine

5-chloro-N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine (PubChem CID 133463400) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 5-chloro-N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine.

Molecular Properties

Compound Name5-chloro-N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine
PubChem CID133463400
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name5-chloro-N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine
SMILESCc1nc(CN(C)c2ccc3c(Cl)ccc(C)c3n2)no1
InChIInChI=1S/C15H15ClN4O/c1-9-4-6-12(16)11-5-7-14(18-15(9)11)20(3)8-13-17-10(2)21-19-13/h4-7H,8H2,1-3H3
InChIKeyPTRTZQSWHUMWHT-UHFFFAOYSA-N
XLogP3.52
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine with MolForge

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Related Compounds

5-bromo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 133463332
2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]quinoline-6-carbonitrile
CID 133463393
6-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-amine
CID 133463316
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-amine
CID 133463471
6-chloro-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-4-amine
CID 133463510
1-(3-chloro-4-methylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 114078694
N-[(3-chloro-4-methylphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 106833818
3-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133463386
5-chloro-8-methyl-[1,2]oxazolo[3,4-b]quinolin-3-amine
CID 28809377
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133463420
2-chloro-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103768023
N-(2,6-dichlorophenyl)-2,2,2-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 19928660

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine?
The IUPAC name of 5-chloro-N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine (CID 133463400) is 5-chloro-N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine.
What is the SMILES notation for 5-chloro-N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine?
The canonical SMILES for 5-chloro-N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine is Cc1nc(CN(C)c2ccc3c(Cl)ccc(C)c3n2)no1.
What is the InChIKey of 5-chloro-N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine?
The InChIKey is PTRTZQSWHUMWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-9-4-6-12(16)11-5-7-14(18-15(9)11)20(3)8-13-17-10(2)21-19-13/h4-7H,8H2,1-3H3.
What are the key properties of 5-chloro-N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine?
5-chloro-N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine has a molecular weight of 302.77 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]quinolin-2-amine is sourced from PubChem (CID 133463400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).