4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline

C20H19NO3 — CID 160640233

IUPAC4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline
SMILESCOc1cc2nccc(Oc3ccc(C4CC4)cc3)c2cc1OC
InChIInChI=1S/C20H19NO3/c1-22-19-11-16-17(12-20(19)23-2)21-10-9-18(16)24-15-7-5-14(6-8-15)13-3-4-13/h5-13H,3-4H2,1-2H3
InChIKeyBLTFLWGWKSDCSW-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.92
Rot. Bonds5

About 4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline

4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline (PubChem CID 160640233) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline.

Molecular Properties

Compound Name4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline
PubChem CID160640233
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline
SMILESCOc1cc2nccc(Oc3ccc(C4CC4)cc3)c2cc1OC
InChIInChI=1S/C20H19NO3/c1-22-19-11-16-17(12-20(19)23-2)21-10-9-18(16)24-15-7-5-14(6-8-15)13-3-4-13/h5-13H,3-4H2,1-2H3
InChIKeyBLTFLWGWKSDCSW-UHFFFAOYSA-N
XLogP4.92
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
methane;4,6,7-trimethoxyquinoline
CID 157066291
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]cyclopropanecarboxamide
CID 141414883
[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane
CID 155331458
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
6-methoxy-N-methyl-4-[4-(methylamino)phenoxy]quinolin-7-amine
CID 163694913
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline
CID 23022656
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
CID 142885243
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
(2,6-dihydroxy-4-methylphenyl)-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]methanone
CID 22132797

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline?
The IUPAC name of 4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline (CID 160640233) is 4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline.
What is the SMILES notation for 4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline?
The canonical SMILES for 4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline is COc1cc2nccc(Oc3ccc(C4CC4)cc3)c2cc1OC.
What is the InChIKey of 4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline?
The InChIKey is BLTFLWGWKSDCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-22-19-11-16-17(12-20(19)23-2)21-10-9-18(16)24-15-7-5-14(6-8-15)13-3-4-13/h5-13H,3-4H2,1-2H3.
What are the key properties of 4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline?
4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline has a molecular weight of 321.38 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline is sourced from PubChem (CID 160640233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).