quinolin-2-ylmethanol;2-(quinolin-2-ylmethoxy)isoindole-1,3-dione

C28H21N3O4 — CID 162125070

IUPACquinolin-2-ylmethanol;2-(quinolin-2-ylmethoxy)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCc1ccc2ccccc2n1.OCc1ccc2ccccc2n1
InChIInChI=1S/C18H12N2O3.C10H9NO/c21-17-14-6-2-3-7-15(14)18(22)20(17)23-11-13-10-9-12-5-1-4-8-16(12)19-13;12-7-9-6-5-8-3-1-2-4-10(8)11-9/h1-10H,11H2;1-6,12H,7H2
InChIKeyZHXJYJWPQMOPRH-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.69
Rot. Bonds4

About quinolin-2-ylmethanol;2-(quinolin-2-ylmethoxy)isoindole-1,3-dione

quinolin-2-ylmethanol;2-(quinolin-2-ylmethoxy)isoindole-1,3-dione (PubChem CID 162125070) has the molecular formula C28H21N3O4 and a molecular weight of 463.49 g/mol. Its IUPAC name is quinolin-2-ylmethanol;2-(quinolin-2-ylmethoxy)isoindole-1,3-dione.

Molecular Properties

Compound Namequinolin-2-ylmethanol;2-(quinolin-2-ylmethoxy)isoindole-1,3-dione
PubChem CID162125070
Molecular FormulaC28H21N3O4
Molecular Weight463.49 g/mol
Exact Mass463.15
IUPAC Namequinolin-2-ylmethanol;2-(quinolin-2-ylmethoxy)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OCc1ccc2ccccc2n1.OCc1ccc2ccccc2n1
InChIInChI=1S/C18H12N2O3.C10H9NO/c21-17-14-6-2-3-7-15(14)18(22)20(17)23-11-13-10-9-12-5-1-4-8-16(12)19-13;12-7-9-6-5-8-3-1-2-4-10(8)11-9/h1-10H,11H2;1-6,12H,7H2
InChIKeyZHXJYJWPQMOPRH-UHFFFAOYSA-N
XLogP4.69
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-butyl-1-[4-(quinolin-2-ylmethoxy)phenyl]hexoxy]isoindole-1,3-dione
CID 11800504
[3-fluoro-2-(quinolin-2-ylmethoxy)phenyl]methanol
CID 115956404
tert-butyl-dimethyl-(quinolin-2-ylmethoxy)silane
CID 54324291
8-(4-hydroxyphenyl)-2-(2-quinolin-2-ylethyl)phthalazin-1-one
CID 71558447
2-[(5-hydroxy-6-oxo-1H-pyrimidin-2-yl)methoxy]isoindole-1,3-dione
CID 19917951
2-(prop-2-enoxymethyl)quinoline
CID 10821856
[1-(quinolin-2-ylmethyl)triazol-4-yl]methanol
CID 56594560
2,2-dimethyl-3-(quinolin-2-ylmethoxy)propan-1-ol
CID 18008046
2-[(2-methyl-3-phenylphenyl)methoxy]isoindole-1,3-dione
CID 134107407
2-(benzylideneamino)-4-(quinolin-2-ylmethoxy)-1,4-benzothiazin-3-one
CID 70346187
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
[6-methyl-3-(quinolin-2-ylmethoxy)-2-pyridinyl]methanol
CID 79157803

Frequently Asked Questions

What is the IUPAC name of quinolin-2-ylmethanol;2-(quinolin-2-ylmethoxy)isoindole-1,3-dione?
The IUPAC name of quinolin-2-ylmethanol;2-(quinolin-2-ylmethoxy)isoindole-1,3-dione (CID 162125070) is quinolin-2-ylmethanol;2-(quinolin-2-ylmethoxy)isoindole-1,3-dione.
What is the SMILES notation for quinolin-2-ylmethanol;2-(quinolin-2-ylmethoxy)isoindole-1,3-dione?
The canonical SMILES for quinolin-2-ylmethanol;2-(quinolin-2-ylmethoxy)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1OCc1ccc2ccccc2n1.OCc1ccc2ccccc2n1.
What is the InChIKey of quinolin-2-ylmethanol;2-(quinolin-2-ylmethoxy)isoindole-1,3-dione?
The InChIKey is ZHXJYJWPQMOPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3.C10H9NO/c21-17-14-6-2-3-7-15(14)18(22)20(17)23-11-13-10-9-12-5-1-4-8-16(12)19-13;12-7-9-6-5-8-3-1-2-4-10(8)11-9/h1-10H,11H2;1-6,12H,7H2.
What are the key properties of quinolin-2-ylmethanol;2-(quinolin-2-ylmethoxy)isoindole-1,3-dione?
quinolin-2-ylmethanol;2-(quinolin-2-ylmethoxy)isoindole-1,3-dione has a molecular weight of 463.49 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-2-ylmethanol;2-(quinolin-2-ylmethoxy)isoindole-1,3-dione is sourced from PubChem (CID 162125070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).