3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone

C17H17NO2 — CID 82829947

IUPAC3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C17H17NO2/c1-12-14(8-4-10-16(12)19)17(20)18-11-5-7-13-6-2-3-9-15(13)18/h2-4,6,8-10,19H,5,7,11H2,1H3
InChIKeyYDVZSRKOJDDLQU-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.29
Rot. Bonds1

About 3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone

3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone (PubChem CID 82829947) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
PubChem CID82829947
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C17H17NO2/c1-12-14(8-4-10-16(12)19)17(20)18-11-5-7-13-6-2-3-9-15(13)18/h2-4,6,8-10,19H,5,7,11H2,1H3
InChIKeyYDVZSRKOJDDLQU-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82809490
3,4-dihydro-2H-quinolin-1-yl-(2,5-dihydroxyphenyl)methanone
CID 103891274
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65307202
3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone
CID 86893884
(2,5-dihydroxyphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 107723234
3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone
CID 43582707
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methylphenoxy)-3-pyridinyl]methanone
CID 67379820
N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-2,3-dimethylbenzohydrazide
CID 139690669
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone (CID 82829947) is 3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone is Cc1c(O)cccc1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone?
The InChIKey is YDVZSRKOJDDLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-12-14(8-4-10-16(12)19)17(20)18-11-5-7-13-6-2-3-9-15(13)18/h2-4,6,8-10,19H,5,7,11H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone?
3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone has a molecular weight of 267.33 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 82829947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).