6-[(6-chloropyridazin-4-yl)oxymethyl]-3-cyclopropylquinoline

C17H14ClN3O — CID 171089580

IUPAC6-[(6-chloropyridazin-4-yl)oxymethyl]-3-cyclopropylquinoline
SMILESClc1cc(OCc2ccc3ncc(C4CC4)cc3c2)cnn1
InChIInChI=1S/C17H14ClN3O/c18-17-7-15(9-20-21-17)22-10-11-1-4-16-13(5-11)6-14(8-19-16)12-2-3-12/h1,4-9,12H,2-3,10H2
InChIKeyRLZOWZGVNXLWMX-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.13
Rot. Bonds4

About 6-[(6-chloropyridazin-4-yl)oxymethyl]-3-cyclopropylquinoline

6-[(6-chloropyridazin-4-yl)oxymethyl]-3-cyclopropylquinoline (PubChem CID 171089580) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 6-[(6-chloropyridazin-4-yl)oxymethyl]-3-cyclopropylquinoline.

Molecular Properties

Compound Name6-[(6-chloropyridazin-4-yl)oxymethyl]-3-cyclopropylquinoline
PubChem CID171089580
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name6-[(6-chloropyridazin-4-yl)oxymethyl]-3-cyclopropylquinoline
SMILESClc1cc(OCc2ccc3ncc(C4CC4)cc3c2)cnn1
InChIInChI=1S/C17H14ClN3O/c18-17-7-15(9-20-21-17)22-10-11-1-4-16-13(5-11)6-14(8-19-16)12-2-3-12/h1,4-9,12H,2-3,10H2
InChIKeyRLZOWZGVNXLWMX-UHFFFAOYSA-N
XLogP4.13
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinoline
CID 44189787
8-((3-chloropyridin-4-yl)methoxy)-2-methyl-4-(1-methyl-1H-pyrazol-5-yl)quinoline
CID 44190672
8-[(6-Chloropyridin-3-yl)methoxy]quinoline
CID 1473089
8-[(3,5-Dichloro-4-pyridinyl)methoxy]-4-[2-(fluoromethyl)pyrazol-3-yl]-2-methylquinoline
CID 59483963
8-[(3,5-Dichloro-4-pyridinyl)methoxy]-2-(fluoromethyl)-4-(2-methylpyrazol-3-yl)quinoline
CID 59484536
5-(2-Chloro-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine
CID 141446367
5-(5-Chloro-2-methoxy-4-pyridinyl)-4-(2-fluorophenoxy)pyrrolo[1,2-b]pyridazine
CID 141446386
3-Chloro-8-fluoro-6-[(6-iodopyridazin-4-yl)oxymethyl]quinoline
CID 165133933
3-[(6-Chloropyridazin-4-yl)oxymethyl]-6-fluoroquinoline
CID 171089933
6-[(6-Chloropyridazin-4-yl)oxymethyl]-3-(trifluoromethyl)quinoline
CID 171090669
2-Chloro-6-methyl-3-(2,2,2-trifluoro-1-pyridin-3-ylethoxy)quinoline
CID 157834940
3-Chloro-8-fluoro-6-[(6-methylpyridazin-4-yl)oxymethyl]quinoline
CID 165134131

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloropyridazin-4-yl)oxymethyl]-3-cyclopropylquinoline?
The IUPAC name of 6-[(6-chloropyridazin-4-yl)oxymethyl]-3-cyclopropylquinoline (CID 171089580) is 6-[(6-chloropyridazin-4-yl)oxymethyl]-3-cyclopropylquinoline.
What is the SMILES notation for 6-[(6-chloropyridazin-4-yl)oxymethyl]-3-cyclopropylquinoline?
The canonical SMILES for 6-[(6-chloropyridazin-4-yl)oxymethyl]-3-cyclopropylquinoline is Clc1cc(OCc2ccc3ncc(C4CC4)cc3c2)cnn1.
What is the InChIKey of 6-[(6-chloropyridazin-4-yl)oxymethyl]-3-cyclopropylquinoline?
The InChIKey is RLZOWZGVNXLWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-17-7-15(9-20-21-17)22-10-11-1-4-16-13(5-11)6-14(8-19-16)12-2-3-12/h1,4-9,12H,2-3,10H2.
What are the key properties of 6-[(6-chloropyridazin-4-yl)oxymethyl]-3-cyclopropylquinoline?
6-[(6-chloropyridazin-4-yl)oxymethyl]-3-cyclopropylquinoline has a molecular weight of 311.77 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloropyridazin-4-yl)oxymethyl]-3-cyclopropylquinoline is sourced from PubChem (CID 171089580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).