4-(2-quinolin-4-yloxypropan-2-yl)quinoline

C21H18N2O — CID 173219055

IUPAC4-(2-quinolin-4-yloxypropan-2-yl)quinoline
SMILESCC(C)(Oc1ccnc2ccccc12)c1ccnc2ccccc12
InChIInChI=1S/C21H18N2O/c1-21(2,17-11-13-22-18-9-5-3-7-15(17)18)24-20-12-14-23-19-10-6-4-8-16(19)20/h3-14H,1-2H3
InChIKeyYVHBOIJNXFELMV-UHFFFAOYSA-N
MW314.39 g/mol
LogP5.10
Rot. Bonds3

About 4-(2-quinolin-4-yloxypropan-2-yl)quinoline

4-(2-quinolin-4-yloxypropan-2-yl)quinoline (PubChem CID 173219055) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(2-quinolin-4-yloxypropan-2-yl)quinoline.

Molecular Properties

Compound Name4-(2-quinolin-4-yloxypropan-2-yl)quinoline
PubChem CID173219055
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name4-(2-quinolin-4-yloxypropan-2-yl)quinoline
SMILESCC(C)(Oc1ccnc2ccccc12)c1ccnc2ccccc12
InChIInChI=1S/C21H18N2O/c1-21(2,17-11-13-22-18-9-5-3-7-15(17)18)24-20-12-14-23-19-10-6-4-8-16(19)20/h3-14H,1-2H3
InChIKeyYVHBOIJNXFELMV-UHFFFAOYSA-N
XLogP5.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(trifluoromethoxy)quinoline
CID 118835416
bis(4-tert-butylquinoline);ethane;methane
CID 158221775
4-methoxyquinoline;4-methylquinoline
CID 71009048
9-tert-butylacridine;4-tert-butylquinoline;ethane
CID 167564366
N,2-dimethyl-2-quinolin-5-yloxypropan-1-amine
CID 103045718
tert-butyl-dimethyl-quinolin-4-ylsilane
CID 132526482
methyl 2-quinolin-4-yloxyacetate
CID 151479480
quinolin-4-yl 4-amino-3,3-dimethylbutanoate;hydrochloride
CID 160803103
1-amino-2-methyl-1-quinolin-4-ylpropan-1-ol
CID 71255730
4-phenylmethoxyquinoline
CID 11299312
4-O-tert-butyl 1-O-quinolin-4-yl butanedioate
CID 175434641
4-(2-methyl-13-quinolin-4-yltridecan-2-yl)quinoline
CID 67368274

Frequently Asked Questions

What is the IUPAC name of 4-(2-quinolin-4-yloxypropan-2-yl)quinoline?
The IUPAC name of 4-(2-quinolin-4-yloxypropan-2-yl)quinoline (CID 173219055) is 4-(2-quinolin-4-yloxypropan-2-yl)quinoline.
What is the SMILES notation for 4-(2-quinolin-4-yloxypropan-2-yl)quinoline?
The canonical SMILES for 4-(2-quinolin-4-yloxypropan-2-yl)quinoline is CC(C)(Oc1ccnc2ccccc12)c1ccnc2ccccc12.
What is the InChIKey of 4-(2-quinolin-4-yloxypropan-2-yl)quinoline?
The InChIKey is YVHBOIJNXFELMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-21(2,17-11-13-22-18-9-5-3-7-15(17)18)24-20-12-14-23-19-10-6-4-8-16(19)20/h3-14H,1-2H3.
What are the key properties of 4-(2-quinolin-4-yloxypropan-2-yl)quinoline?
4-(2-quinolin-4-yloxypropan-2-yl)quinoline has a molecular weight of 314.39 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-quinolin-4-yloxypropan-2-yl)quinoline is sourced from PubChem (CID 173219055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).