(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

7-bromo-8-(2-methoxyethoxymethoxy)quinoline
CID 10935865
1-(2-methoxyethoxymethoxy)naphthalene-2-carboxylic acid
CID 68977043
7-bromo-8-(2-methoxyethoxymethoxy)-5-methylquinoline
CID 57425183
benzyl 8-phenylmethoxyquinoline-7-carboxylate
CID 77134381
tris(1,3-diphenylpropane-1,3-dione);1,10-phenanthroline;terbium
CID 161336621
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
2-phenyl-1-quinolin-8-ylethanone
CID 10999362
7-methoxy-8-phenylmethoxyquinoline
CID 67057987
2-(2-methoxyethoxy)-1-quinolin-7-ylethanone
CID 114032528
tris(benzene-1,2,4,5-tetracarboxylic acid);tetrakis(1,10-phenanthroline)
CID 71445169
8-hydroxy-N-[7-[(8-hydroxyquinoline-7-carbonyl)amino]-4-[3-[(8-hydroxyquinoline-7-carbonyl)amino]propyl]-4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]heptyl]quinoline-7-carboxamide
CID 10419033
2-benzyl-6-(methoxymethoxy)naphthalene
CID 132602813

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).