3-(2-hydroxybenzoyl)-7,8-dihydro-6H-quinolin-5-one

C16H13NO3 — CID 134972176

IUPAC3-(2-hydroxybenzoyl)-7,8-dihydro-6H-quinolin-5-one
SMILESO=C(c1cnc2c(c1)C(=O)CCC2)c1ccccc1O
InChIInChI=1S/C16H13NO3/c18-14-6-2-1-4-11(14)16(20)10-8-12-13(17-9-10)5-3-7-15(12)19/h1-2,4,6,8-9,18H,3,5,7H2
InChIKeyCQWSHSAVQVLNRM-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.54
Rot. Bonds2

About 3-(2-hydroxybenzoyl)-7,8-dihydro-6H-quinolin-5-one

3-(2-hydroxybenzoyl)-7,8-dihydro-6H-quinolin-5-one (PubChem CID 134972176) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-(2-hydroxybenzoyl)-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name3-(2-hydroxybenzoyl)-7,8-dihydro-6H-quinolin-5-one
PubChem CID134972176
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name3-(2-hydroxybenzoyl)-7,8-dihydro-6H-quinolin-5-one
SMILESO=C(c1cnc2c(c1)C(=O)CCC2)c1ccccc1O
InChIInChI=1S/C16H13NO3/c18-14-6-2-1-4-11(14)16(20)10-8-12-13(17-9-10)5-3-7-15(12)19/h1-2,4,6,8-9,18H,3,5,7H2
InChIKeyCQWSHSAVQVLNRM-UHFFFAOYSA-N
XLogP2.54
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-phenylethynyl)-7,8-dihydro-6H-quinolin-5-one
CID 67510438
(5,5-dioxo-[1]benzothiolo[3,2-b]pyridin-3-yl)-(2-hydroxyphenyl)methanone
CID 12717850
3-bromo-7,8-dihydro-6H-quinolin-5-one
CID 67510937
3-chloro-7,8-dihydro-6H-quinolin-5-one
CID 10997654
5H-chromeno[4,3-b]pyridin-3-yl-(2-hydroxyphenyl)methanone
CID 15194252
2-amino-5-(2-hydroxybenzoyl)pyridine-3-carbonitrile
CID 14714980
(7-ethylquinolin-3-yl)-(2-hydroxyphenyl)methanone
CID 139223032
3-amino-2-(2-hydroxyphenyl)-7,8-dihydro-6H-quinolin-5-one
CID 135604529
3-amino-2-benzoyl-7,8-dihydro-6H-thieno[2,3-b]quinolin-5-one
CID 797561
(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-(2-hydroxyphenyl)methanone
CID 17457376
5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid
CID 10397638
3,4-dihydro-2H-acridin-1-one;dihydrochloride
CID 142633980

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxybenzoyl)-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 3-(2-hydroxybenzoyl)-7,8-dihydro-6H-quinolin-5-one (CID 134972176) is 3-(2-hydroxybenzoyl)-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 3-(2-hydroxybenzoyl)-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 3-(2-hydroxybenzoyl)-7,8-dihydro-6H-quinolin-5-one is O=C(c1cnc2c(c1)C(=O)CCC2)c1ccccc1O.
What is the InChIKey of 3-(2-hydroxybenzoyl)-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is CQWSHSAVQVLNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-14-6-2-1-4-11(14)16(20)10-8-12-13(17-9-10)5-3-7-15(12)19/h1-2,4,6,8-9,18H,3,5,7H2.
What are the key properties of 3-(2-hydroxybenzoyl)-7,8-dihydro-6H-quinolin-5-one?
3-(2-hydroxybenzoyl)-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 267.28 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxybenzoyl)-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 134972176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).