3,4-dihydro-2H-quinolin-1-yl-[2-(3-hydroxyphenoxy)-3-pyridinyl]methanone

C21H18N2O3 — CID 70891037

IUPAC3,4-dihydro-2H-quinolin-1-yl-[2-(3-hydroxyphenoxy)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1Oc1cccc(O)c1)N1CCCc2ccccc21
InChIInChI=1S/C21H18N2O3/c24-16-8-3-9-17(14-16)26-20-18(10-4-12-22-20)21(25)23-13-5-7-15-6-1-2-11-19(15)23/h1-4,6,8-12,14,24H,5,7,13H2
InChIKeyIJQRUQZOTJBYSL-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.17
Rot. Bonds3

About 3,4-dihydro-2H-quinolin-1-yl-[2-(3-hydroxyphenoxy)-3-pyridinyl]methanone

3,4-dihydro-2H-quinolin-1-yl-[2-(3-hydroxyphenoxy)-3-pyridinyl]methanone (PubChem CID 70891037) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[2-(3-hydroxyphenoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[2-(3-hydroxyphenoxy)-3-pyridinyl]methanone
PubChem CID70891037
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[2-(3-hydroxyphenoxy)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1Oc1cccc(O)c1)N1CCCc2ccccc21
InChIInChI=1S/C21H18N2O3/c24-16-8-3-9-17(14-16)26-20-18(10-4-12-22-20)21(25)23-13-5-7-15-6-1-2-11-19(15)23/h1-4,6,8-12,14,24H,5,7,13H2
InChIKeyIJQRUQZOTJBYSL-UHFFFAOYSA-N
XLogP4.17
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-2H-quinolin-1-yl-[2-(3-hydroxyphenoxy)-3-pyridinyl]methanone with MolForge

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Related Compounds

[2-(3-bromophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46194295
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methylphenoxy)-3-pyridinyl]methanone
CID 67379820
[2-(2,4-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46194987
3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone
CID 103891274
3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829947
2-(3-hydroxyphenoxy)pyridine-3-carboxamide
CID 60870286
3,4-dihydro-2H-quinolin-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone
CID 4954325
(2,5-dihydroxyphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 107723234
[2-(2,5-difluorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46195845
(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81226103
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[2-(3-hydroxyphenoxy)-3-pyridinyl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[2-(3-hydroxyphenoxy)-3-pyridinyl]methanone (CID 70891037) is 3,4-dihydro-2H-quinolin-1-yl-[2-(3-hydroxyphenoxy)-3-pyridinyl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[2-(3-hydroxyphenoxy)-3-pyridinyl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[2-(3-hydroxyphenoxy)-3-pyridinyl]methanone is O=C(c1cccnc1Oc1cccc(O)c1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[2-(3-hydroxyphenoxy)-3-pyridinyl]methanone?
The InChIKey is IJQRUQZOTJBYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-16-8-3-9-17(14-16)26-20-18(10-4-12-22-20)21(25)23-13-5-7-15-6-1-2-11-19(15)23/h1-4,6,8-12,14,24H,5,7,13H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[2-(3-hydroxyphenoxy)-3-pyridinyl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[2-(3-hydroxyphenoxy)-3-pyridinyl]methanone has a molecular weight of 346.39 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[2-(3-hydroxyphenoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 70891037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).