(3-benzylphenyl)-[8-(2-methoxyethoxymethoxy)quinolin-7-yl]methanone

C27H25NO4 — CID 11729623

IUPAC(3-benzylphenyl)-[8-(2-methoxyethoxymethoxy)quinolin-7-yl]methanone
SMILESCOCCOCOc1c(C(=O)c2cccc(Cc3ccccc3)c2)ccc2cccnc12
InChIInChI=1S/C27H25NO4/c1-30-15-16-31-19-32-27-24(13-12-22-11-6-14-28-25(22)27)26(29)23-10-5-9-21(18-23)17-20-7-3-2-4-8-20/h2-14,18H,15-17,19H2,1H3
InChIKeySBYDRUOIHCMANZ-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.06
Rot. Bonds10

About (3-benzylphenyl)-[8-(2-methoxyethoxymethoxy)quinolin-7-yl]methanone

(3-benzylphenyl)-[8-(2-methoxyethoxymethoxy)quinolin-7-yl]methanone (PubChem CID 11729623) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is (3-benzylphenyl)-[8-(2-methoxyethoxymethoxy)quinolin-7-yl]methanone.

Molecular Properties

Compound Name(3-benzylphenyl)-[8-(2-methoxyethoxymethoxy)quinolin-7-yl]methanone
PubChem CID11729623
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name(3-benzylphenyl)-[8-(2-methoxyethoxymethoxy)quinolin-7-yl]methanone
SMILESCOCCOCOc1c(C(=O)c2cccc(Cc3ccccc3)c2)ccc2cccnc12
InChIInChI=1S/C27H25NO4/c1-30-15-16-31-19-32-27-24(13-12-22-11-6-14-28-25(22)27)26(29)23-10-5-9-21(18-23)17-20-7-3-2-4-8-20/h2-14,18H,15-17,19H2,1H3
InChIKeySBYDRUOIHCMANZ-UHFFFAOYSA-N
XLogP5.06
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3-Benzylphenyl)(8-hydroxyquinolin-7-yl)methanone
CID 463001
1-{4-Methoxy-3-[(8-quinolinyloxy)methyl]phenyl}ethanone
CID 973526
2-[3-(8-Quinolinyloxy)propoxy]benzaldehyde
CID 2994188
1-{4-[3-(8-Quinolinyloxy)propoxy]phenyl}ethanone
CID 2992950
1-{2-[3-(8-Quinolinyloxy)propoxy]phenyl}ethanone
CID 2995546
3-Methoxy-2-[3-(8-quinolinyloxy)propoxy]benzaldehyde
CID 2995696
1-{3-[3-(8-Quinolinyloxy)propoxy]phenyl}ethanone
CID 2996835
Methyl 2-{2-[2-(8-quinolinyloxy)ethoxy]ethoxy}benzoate
CID 2283451
(E)-1-(2,5-dimethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 44419407
3,3-dimethyl-2H-pyrano[3,2-h]quinolin-4-one
CID 101521139
Ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate
CID 162662540
myomiR-IN-1
CID 71515155

Frequently Asked Questions

What is the IUPAC name of (3-benzylphenyl)-[8-(2-methoxyethoxymethoxy)quinolin-7-yl]methanone?
The IUPAC name of (3-benzylphenyl)-[8-(2-methoxyethoxymethoxy)quinolin-7-yl]methanone (CID 11729623) is (3-benzylphenyl)-[8-(2-methoxyethoxymethoxy)quinolin-7-yl]methanone.
What is the SMILES notation for (3-benzylphenyl)-[8-(2-methoxyethoxymethoxy)quinolin-7-yl]methanone?
The canonical SMILES for (3-benzylphenyl)-[8-(2-methoxyethoxymethoxy)quinolin-7-yl]methanone is COCCOCOc1c(C(=O)c2cccc(Cc3ccccc3)c2)ccc2cccnc12.
What is the InChIKey of (3-benzylphenyl)-[8-(2-methoxyethoxymethoxy)quinolin-7-yl]methanone?
The InChIKey is SBYDRUOIHCMANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c1-30-15-16-31-19-32-27-24(13-12-22-11-6-14-28-25(22)27)26(29)23-10-5-9-21(18-23)17-20-7-3-2-4-8-20/h2-14,18H,15-17,19H2,1H3.
What are the key properties of (3-benzylphenyl)-[8-(2-methoxyethoxymethoxy)quinolin-7-yl]methanone?
(3-benzylphenyl)-[8-(2-methoxyethoxymethoxy)quinolin-7-yl]methanone has a molecular weight of 427.50 g/mol, XLogP of 5.06, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylphenyl)-[8-(2-methoxyethoxymethoxy)quinolin-7-yl]methanone is sourced from PubChem (CID 11729623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).