3-bromo-1,2-dihydroquinolin-4-ol

C9H8BrNO — CID 123830845

IUPAC3-bromo-1,2-dihydroquinolin-4-ol
SMILESOC1=C(Br)CNc2ccccc21
InChIInChI=1S/C9H8BrNO/c10-7-5-11-8-4-2-1-3-6(8)9(7)12/h1-4,11-12H,5H2
InChIKeyUDQAUBKUJKGVIE-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.73
Rot. Bonds

About 3-bromo-1,2-dihydroquinolin-4-ol

3-bromo-1,2-dihydroquinolin-4-ol (PubChem CID 123830845) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 3-bromo-1,2-dihydroquinolin-4-ol.

Molecular Properties

Compound Name3-bromo-1,2-dihydroquinolin-4-ol
PubChem CID123830845
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name3-bromo-1,2-dihydroquinolin-4-ol
SMILESOC1=C(Br)CNc2ccccc21
InChIInChI=1S/C9H8BrNO/c10-7-5-11-8-4-2-1-3-6(8)9(7)12/h1-4,11-12H,5H2
InChIKeyUDQAUBKUJKGVIE-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-phenyltetrazol-5-yl)-1,2-dihydroquinolin-4-ol
CID 135410321
1,2,3,4-tetrahydro-1,3-benzodiazepin-5-one
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3-amino-1,2-dihydroquinoline-2,4-diol
CID 110273019
4-methyl-1H-1-benzazepin-5-ol
CID 24767309
3-methyl-2-methylidene-1H-quinolin-4-ol
CID 58527871
5,6-dihydrobenzo[c][2,6]naphthyridine
CID 123355188
5,6-dihydrobenzo[i]phenanthridine
CID 165358005
10,15-diazatetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,16,18-nonaene
CID 162419046
2,3-dihydro-1H-quinolin-4-one;ethane
CID 91530065
1,2-dihydroquinoline-4-carbothioamide
CID 54517373
(11Z)-11-[amino(methyl)amino]-5,6-dihydrobenzo[c][1]benzazocin-12-amine;ethane
CID 144590222
N-oxo-4-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxamide
CID 154340640

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,2-dihydroquinolin-4-ol?
The IUPAC name of 3-bromo-1,2-dihydroquinolin-4-ol (CID 123830845) is 3-bromo-1,2-dihydroquinolin-4-ol.
What is the SMILES notation for 3-bromo-1,2-dihydroquinolin-4-ol?
The canonical SMILES for 3-bromo-1,2-dihydroquinolin-4-ol is OC1=C(Br)CNc2ccccc21.
What is the InChIKey of 3-bromo-1,2-dihydroquinolin-4-ol?
The InChIKey is UDQAUBKUJKGVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-7-5-11-8-4-2-1-3-6(8)9(7)12/h1-4,11-12H,5H2.
What are the key properties of 3-bromo-1,2-dihydroquinolin-4-ol?
3-bromo-1,2-dihydroquinolin-4-ol has a molecular weight of 226.07 g/mol, XLogP of 2.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,2-dihydroquinolin-4-ol is sourced from PubChem (CID 123830845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).