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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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).