[3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine

C14H11ClN4O — CID 80507747

IUPAC[3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine
SMILESNCc1ccnnc1Oc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H11ClN4O/c15-11-3-4-12(13-10(11)2-1-6-17-13)20-14-9(8-16)5-7-18-19-14/h1-7H,8,16H2
InChIKeyLVBNSPJRADZSDS-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.93
Rot. Bonds3

About [3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine

[3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine (PubChem CID 80507747) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is [3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine
PubChem CID80507747
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name[3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine
SMILESNCc1ccnnc1Oc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H11ClN4O/c15-11-3-4-12(13-10(11)2-1-6-17-13)20-14-9(8-16)5-7-18-19-14/h1-7H,8,16H2
InChIKeyLVBNSPJRADZSDS-UHFFFAOYSA-N
XLogP2.93
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloroquinolin-8-yl)oxypyridazine-4-carbothioamide
CID 80511484
[2-(5-chloroquinolin-8-yl)oxy-5-fluorophenyl]methanamine
CID 43314287
[3-bromo-4-(5-chloroquinolin-8-yl)oxyphenyl]methanamine
CID 82784965
[3-(2-chloro-4-fluorophenoxy)pyridazin-4-yl]methanamine
CID 80507987
5-chloro-4-(5-chloroquinolin-8-yl)oxypyrimidin-2-amine
CID 80881381
3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile
CID 107058861
5-(5-chloroquinolin-8-yl)oxypentan-1-amine
CID 54965610
CID 12945983
CID 12945983
[5-[(5-chloroquinolin-8-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107558658
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
(3-phenoxypyridazin-4-yl)methanamine
CID 80507739
1-[5-(5-chloroquinolin-8-yl)oxypyrazin-2-yl]-N-methylmethanamine
CID 107381926

Frequently Asked Questions

What is the IUPAC name of [3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine?
The IUPAC name of [3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine (CID 80507747) is [3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine?
The canonical SMILES for [3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine is NCc1ccnnc1Oc1ccc(Cl)c2cccnc12.
What is the InChIKey of [3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine?
The InChIKey is LVBNSPJRADZSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-11-3-4-12(13-10(11)2-1-6-17-13)20-14-9(8-16)5-7-18-19-14/h1-7H,8,16H2.
What are the key properties of [3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine?
[3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine has a molecular weight of 286.72 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloroquinolin-8-yl)oxypyridazin-4-yl]methanamine is sourced from PubChem (CID 80507747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).