[5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine

C16H17ClN6O — CID 166485547

IUPAC[5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(-c2ccc3nc(N4CCNCC4)c(Cl)cc3c2)o1
InChIInChI=1S/C16H17ClN6O/c17-12-8-11-7-10(16-22-21-14(9-18)24-16)1-2-13(11)20-15(12)23-5-3-19-4-6-23/h1-2,7-8,19H,3-6,9,18H2
InChIKeyFZXBNLDBRTXTGJ-UHFFFAOYSA-N
MW344.81 g/mol
LogP1.81
Rot. Bonds3

About [5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 166485547) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is [5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID166485547
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC Name[5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESNCc1nnc(-c2ccc3nc(N4CCNCC4)c(Cl)cc3c2)o1
InChIInChI=1S/C16H17ClN6O/c17-12-8-11-7-10(16-22-21-14(9-18)24-16)1-2-13(11)20-15(12)23-5-3-19-4-6-23/h1-2,7-8,19H,3-6,9,18H2
InChIKeyFZXBNLDBRTXTGJ-UHFFFAOYSA-N
XLogP1.81
TPSA93.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine with MolForge

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Related Compounds

[2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine
CID 166485251
[3-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-5-methoxyphenyl]methanamine
CID 166485454
[3-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-2-methylphenyl]methanamine;dihydrochloride
CID 166485443
N'-(3-chloro-2-piperazin-1-ylquinolin-6-yl)butane-1,4-diamine
CID 166485360
[3-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-2-methoxyphenyl]methanamine;dihydrochloride
CID 166485387
2-[4-(3-chloro-2-piperazin-1-ylquinolin-6-yl)triazol-1-yl]-N,N-dimethylethanamine
CID 166485324
3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline
CID 166485216
3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride
CID 166485276
[1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-yl]methanamine;dihydrochloride
CID 171851681
3-chloro-2-piperazin-1-yl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline;dihydrochloride
CID 166485514
(3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride
CID 166485583
3-chloro-2-piperazin-1-yl-N-[(3S)-piperidin-3-yl]quinolin-6-amine
CID 166485264

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine (CID 166485547) is [5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine is NCc1nnc(-c2ccc3nc(N4CCNCC4)c(Cl)cc3c2)o1.
What is the InChIKey of [5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is FZXBNLDBRTXTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O/c17-12-8-11-7-10(16-22-21-14(9-18)24-16)1-2-13(11)20-15(12)23-5-3-19-4-6-23/h1-2,7-8,19H,3-6,9,18H2.
What are the key properties of [5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 344.81 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 166485547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).