(4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C16H13BrClNO2 — CID 63215264

IUPAC(4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1Cl)N1CCCc2cccc(O)c21
InChIInChI=1S/C16H13BrClNO2/c17-11-6-7-12(13(18)9-11)16(21)19-8-2-4-10-3-1-5-14(20)15(10)19/h1,3,5-7,9,20H,2,4,8H2
InChIKeyHEMDGIVKYNSVGV-UHFFFAOYSA-N
MW366.64 g/mol
LogP4.40
Rot. Bonds1

About (4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone

(4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 63215264) has the molecular formula C16H13BrClNO2 and a molecular weight of 366.64 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID63215264
Molecular FormulaC16H13BrClNO2
Molecular Weight366.64 g/mol
Exact Mass364.98
IUPAC Name(4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Br)cc1Cl)N1CCCc2cccc(O)c21
InChIInChI=1S/C16H13BrClNO2/c17-11-6-7-12(13(18)9-11)16(21)19-8-2-4-10-3-1-5-14(20)15(10)19/h1,3,5-7,9,20H,2,4,8H2
InChIKeyHEMDGIVKYNSVGV-UHFFFAOYSA-N
XLogP4.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.64
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

(5-bromo-2-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63214927
(2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106502280
(2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107951713
(4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61112430
(3-chloro-4-fluorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 82877379
(4-fluoro-2-methylphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115970106
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 15267724
(5-bromo-2-fluorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60704859
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone
CID 79807986
(4-bromo-2-sulfanylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107021560
(3-bromo-2-pyridinyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107519525
(4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81229573

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 63215264) is (4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1ccc(Br)cc1Cl)N1CCCc2cccc(O)c21.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is HEMDGIVKYNSVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClNO2/c17-11-6-7-12(13(18)9-11)16(21)19-8-2-4-10-3-1-5-14(20)15(10)19/h1,3,5-7,9,20H,2,4,8H2.
What are the key properties of (4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 366.64 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 63215264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).