(2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C16H13BrClNO2 — CID 110636338

IUPAC(2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccccc1Br)N1CCC(O)c2cc(Cl)ccc21
InChIInChI=1S/C16H13BrClNO2/c17-13-4-2-1-3-11(13)16(21)19-8-7-15(20)12-9-10(18)5-6-14(12)19/h1-6,9,15,20H,7-8H2
InChIKeyKGSCLCUJBYKTGS-UHFFFAOYSA-N
MW366.64 g/mol
LogP4.19
Rot. Bonds1

About (2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone

(2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 110636338) has the molecular formula C16H13BrClNO2 and a molecular weight of 366.64 g/mol. Its IUPAC name is (2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID110636338
Molecular FormulaC16H13BrClNO2
Molecular Weight366.64 g/mol
Exact Mass364.98
IUPAC Name(2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccccc1Br)N1CCC(O)c2cc(Cl)ccc21
InChIInChI=1S/C16H13BrClNO2/c17-13-4-2-1-3-11(13)16(21)19-8-7-15(20)12-9-10(18)5-6-14(12)19/h1-6,9,15,20H,7-8H2
InChIKeyKGSCLCUJBYKTGS-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110636381
1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one
CID 110634957
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 110636341
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 110636327
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclohexylmethanone
CID 110636324
(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110636848
1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-ethylbutan-1-one
CID 110636328
[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 55660753
4-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 110636364
2-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-5-[(2-methylbenzoyl)amino]benzoic acid
CID 142567447
N-[4-[(5R)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 176507654
N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]benzamide
CID 71767691

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 110636338) is (2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1ccccc1Br)N1CCC(O)c2cc(Cl)ccc21.
What is the InChIKey of (2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is KGSCLCUJBYKTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClNO2/c17-13-4-2-1-3-11(13)16(21)19-8-7-15(20)12-9-10(18)5-6-14(12)19/h1-6,9,15,20H,7-8H2.
What are the key properties of (2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 366.64 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 110636338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).