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

6-[(6-chloropyridazin-4-yl)oxymethyl]quinoline
CID 171090319
6-(chloromethyl)-3-cyclopropylquinoline
CID 134178572
6-chloro-N-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-amine
CID 171090359
3-chloro-5-cyclopropylpyridazine
CID 118611458
6-[(2-bromo-2H-pyridin-1-yl)methyl]-3-cyclopropylquinoline
CID 175795450
ethyl 3-cyclopropylquinoline-6-carboxylate
CID 139487727
3-chloro-6-[6-(methoxymethyl)-1,3-dihydro-2-benzofuran-1-yl]quinoline
CID 139442841
3-(4-ethylcyclohexyl)quinoline
CID 145078390
3-cyclohexylquinoline-6-carbonitrile
CID 105497962
4-(quinolin-3-ylmethoxy)aniline
CID 19733697
N-[6-[(3-cyclopropylquinolin-6-yl)methyl]pyrimidin-4-yl]acetamide;N-(6-trimethylstannylpyrimidin-4-yl)acetamide
CID 175600655
6-[(4-methoxyphenyl)methoxy]-3-[2-[5-(oxan-2-yloxymethyl)pyridazin-3-yl]oxyethoxy]quinoline
CID 168916608

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).