(2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid

C9H10BNO3 — CID 59763201

IUPAC(2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid
SMILESO=C1CCc2cc(B(O)O)ccc2N1
InChIInChI=1S/C9H10BNO3/c12-9-4-1-6-5-7(10(13)14)2-3-8(6)11-9/h2-3,5,13-14H,1,4H2,(H,11,12)
InChIKeyWIVDQJWQFUTPOH-UHFFFAOYSA-N
MW191.00 g/mol
LogP-0.75
Rot. Bonds1

About (2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid

(2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid (PubChem CID 59763201) has the molecular formula C9H10BNO3 and a molecular weight of 191.00 g/mol. Its IUPAC name is (2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid.

Molecular Properties

Compound Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid
PubChem CID59763201
Molecular FormulaC9H10BNO3
Molecular Weight191.00 g/mol
Exact Mass191.08
IUPAC Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid
SMILESO=C1CCc2cc(B(O)O)ccc2N1
InChIInChI=1S/C9H10BNO3/c12-9-4-1-6-5-7(10(13)14)2-3-8(6)11-9/h2-3,5,13-14H,1,4H2,(H,11,12)
InChIKeyWIVDQJWQFUTPOH-UHFFFAOYSA-N
XLogP-0.75
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.00
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
(3-oxo-4H-1,4-benzothiazin-7-yl)boronic acid
CID 91756091
6-(3-hydroxyprop-1-enyl)-3,4-dihydro-1H-quinolin-2-one
CID 169453981
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)boronic acid
CID 130053587
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82468625
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037
6-[(2R)-oxiran-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 95436529

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid?
The IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid (CID 59763201) is (2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid.
What is the SMILES notation for (2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid?
The canonical SMILES for (2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid is O=C1CCc2cc(B(O)O)ccc2N1.
What is the InChIKey of (2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid?
The InChIKey is WIVDQJWQFUTPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BNO3/c12-9-4-1-6-5-7(10(13)14)2-3-8(6)11-9/h2-3,5,13-14H,1,4H2,(H,11,12).
What are the key properties of (2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid?
(2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid has a molecular weight of 191.00 g/mol, XLogP of -0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid is sourced from PubChem (CID 59763201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).