3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone

C16H15NO3 — CID 103891274

IUPAC3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone
SMILESO=C(c1cc(O)ccc1O)N1CCCc2ccccc21
InChIInChI=1S/C16H15NO3/c18-12-7-8-15(19)13(10-12)16(20)17-9-3-5-11-4-1-2-6-14(11)17/h1-2,4,6-8,10,18-19H,3,5,9H2
InChIKeyVXGYGYSLTNRCHW-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.69
Rot. Bonds1

About 3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone

3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone (PubChem CID 103891274) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone
PubChem CID103891274
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone
SMILESO=C(c1cc(O)ccc1O)N1CCCc2ccccc21
InChIInChI=1S/C16H15NO3/c18-12-7-8-15(19)13(10-12)16(20)17-9-3-5-11-4-1-2-6-14(11)17/h1-2,4,6-8,10,18-19H,3,5,9H2
InChIKeyVXGYGYSLTNRCHW-UHFFFAOYSA-N
XLogP2.69
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dihydroxyphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 107723234
(2,5-dihydroxyphenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone
CID 107725080
3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829947
3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(2,5-dihydroxyphenyl)methanone
CID 107723594
(4-amino-2,3-dihydroindol-1-yl)-(2,5-dihydroxyphenyl)methanone
CID 107721480
(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 736346
(2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106502280
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
(2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103608124
(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65307202
(4-bromo-2-sulfanylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107021560

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone (CID 103891274) is 3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone is O=C(c1cc(O)ccc1O)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone?
The InChIKey is VXGYGYSLTNRCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-12-7-8-15(19)13(10-12)16(20)17-9-3-5-11-4-1-2-6-14(11)17/h1-2,4,6-8,10,18-19H,3,5,9H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone has a molecular weight of 269.30 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone is sourced from PubChem (CID 103891274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).