formic acid;1-[2-[2-(2-imidazol-1-ylethoxy)phenyl]-4-methylquinolin-7-yl]ethanol

C24H25N3O4 — CID 171991958

IUPACformic acid;1-[2-[2-(2-imidazol-1-ylethoxy)phenyl]-4-methylquinolin-7-yl]ethanol
SMILESCc1cc(-c2ccccc2OCCn2ccnc2)nc2cc(C(C)O)ccc12.O=CO
InChIInChI=1S/C23H23N3O2.CH2O2/c1-16-13-21(25-22-14-18(17(2)27)7-8-19(16)22)20-5-3-4-6-23(20)28-12-11-26-10-9-24-15-26;2-1-3/h3-10,13-15,17,27H,11-12H2,1-2H3;1H,(H,2,3)
InChIKeySSNNJJYAYMYJSP-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.24
Rot. Bonds6

About formic acid;1-[2-[2-(2-imidazol-1-ylethoxy)phenyl]-4-methylquinolin-7-yl]ethanol

formic acid;1-[2-[2-(2-imidazol-1-ylethoxy)phenyl]-4-methylquinolin-7-yl]ethanol (PubChem CID 171991958) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is formic acid;1-[2-[2-(2-imidazol-1-ylethoxy)phenyl]-4-methylquinolin-7-yl]ethanol.

Molecular Properties

Compound Nameformic acid;1-[2-[2-(2-imidazol-1-ylethoxy)phenyl]-4-methylquinolin-7-yl]ethanol
PubChem CID171991958
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Nameformic acid;1-[2-[2-(2-imidazol-1-ylethoxy)phenyl]-4-methylquinolin-7-yl]ethanol
SMILESCc1cc(-c2ccccc2OCCn2ccnc2)nc2cc(C(C)O)ccc12.O=CO
InChIInChI=1S/C23H23N3O2.CH2O2/c1-16-13-21(25-22-14-18(17(2)27)7-8-19(16)22)20-5-3-4-6-23(20)28-12-11-26-10-9-24-15-26;2-1-3/h3-10,13-15,17,27H,11-12H2,1-2H3;1H,(H,2,3)
InChIKeySSNNJJYAYMYJSP-UHFFFAOYSA-N
XLogP4.24
TPSA97.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride
CID 75531590
3-ethyl-4-[2-(2-imidazol-1-ylethoxy)phenyl]phenol
CID 138378576
(1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 63365749
1-[2-(3-fluoro-2-pyridinyl)-4-methylquinolin-7-yl]ethanol
CID 169414211
1-[[1-(2-imidazol-1-ylethoxy)-4-methylnaphthalene-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 143600348
1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60878818
1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 54961343
1-[4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-7-yl)quinolin-7-yl]ethanol
CID 171385364
4-(2-imidazol-1-ylethoxy)-3,5-dimethylbenzoic acid
CID 28932799
2-(3-imidazol-1-ylpropoxy)benzaldehyde;hydrochloride
CID 75531575
1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol
CID 18921919
1-[2-[2-(2-methyl-5-propan-2-ylphenoxy)ethoxy]ethyl]imidazole;oxalic acid
CID 44828386

Frequently Asked Questions

What is the IUPAC name of formic acid;1-[2-[2-(2-imidazol-1-ylethoxy)phenyl]-4-methylquinolin-7-yl]ethanol?
The IUPAC name of formic acid;1-[2-[2-(2-imidazol-1-ylethoxy)phenyl]-4-methylquinolin-7-yl]ethanol (CID 171991958) is formic acid;1-[2-[2-(2-imidazol-1-ylethoxy)phenyl]-4-methylquinolin-7-yl]ethanol.
What is the SMILES notation for formic acid;1-[2-[2-(2-imidazol-1-ylethoxy)phenyl]-4-methylquinolin-7-yl]ethanol?
The canonical SMILES for formic acid;1-[2-[2-(2-imidazol-1-ylethoxy)phenyl]-4-methylquinolin-7-yl]ethanol is Cc1cc(-c2ccccc2OCCn2ccnc2)nc2cc(C(C)O)ccc12.O=CO.
What is the InChIKey of formic acid;1-[2-[2-(2-imidazol-1-ylethoxy)phenyl]-4-methylquinolin-7-yl]ethanol?
The InChIKey is SSNNJJYAYMYJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2.CH2O2/c1-16-13-21(25-22-14-18(17(2)27)7-8-19(16)22)20-5-3-4-6-23(20)28-12-11-26-10-9-24-15-26;2-1-3/h3-10,13-15,17,27H,11-12H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;1-[2-[2-(2-imidazol-1-ylethoxy)phenyl]-4-methylquinolin-7-yl]ethanol?
formic acid;1-[2-[2-(2-imidazol-1-ylethoxy)phenyl]-4-methylquinolin-7-yl]ethanol has a molecular weight of 419.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-[2-[2-(2-imidazol-1-ylethoxy)phenyl]-4-methylquinolin-7-yl]ethanol is sourced from PubChem (CID 171991958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).