(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone

C19H21BrN2O3 — CID 86887068

IUPAC(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone
SMILESCOCCOc1ncccc1C(=O)N1CCCc2cc(Br)cc(C)c21
InChIInChI=1S/C19H21BrN2O3/c1-13-11-15(20)12-14-5-4-8-22(17(13)14)19(23)16-6-3-7-21-18(16)25-10-9-24-2/h3,6-7,11-12H,4-5,8-10H2,1-2H3
InChIKeyRKRXZFPAGYGNKG-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.77
Rot. Bonds5

About (6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone

(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone (PubChem CID 86887068) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is (6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone
PubChem CID86887068
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone
SMILESCOCCOc1ncccc1C(=O)N1CCCc2cc(Br)cc(C)c21
InChIInChI=1S/C19H21BrN2O3/c1-13-11-15(20)12-14-5-4-8-22(17(13)14)19(23)16-6-3-7-21-18(16)25-10-9-24-2/h3,6-7,11-12H,4-5,8-10H2,1-2H3
InChIKeyRKRXZFPAGYGNKG-UHFFFAOYSA-N
XLogP3.77
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfonylphenyl)methanone
CID 86887149
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methylphenoxy)-3-pyridinyl]methanone
CID 67379820
[2-(3-bromophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46194295
(4-cyclopropylpiperazin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone
CID 86853356
(2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107951713
(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
CID 86887108
[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-[2-(2-methoxyethoxy)-3-pyridinyl]methanone
CID 95271459
tert-butyl 5-bromo-7-methyl-2,3-dihydroindole-1-carboxylate
CID 153360716
[2-(2,4-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46194987
2-[3-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 86933947
1-(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 86887082
3,4-dihydro-2H-quinolin-1-yl-[2-(3-hydroxyphenoxy)-3-pyridinyl]methanone
CID 70891037

Frequently Asked Questions

What is the IUPAC name of (6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone?
The IUPAC name of (6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone (CID 86887068) is (6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone.
What is the SMILES notation for (6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone?
The canonical SMILES for (6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone is COCCOc1ncccc1C(=O)N1CCCc2cc(Br)cc(C)c21.
What is the InChIKey of (6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone?
The InChIKey is RKRXZFPAGYGNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-13-11-15(20)12-14-5-4-8-22(17(13)14)19(23)16-6-3-7-21-18(16)25-10-9-24-2/h3,6-7,11-12H,4-5,8-10H2,1-2H3.
What are the key properties of (6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone?
(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone has a molecular weight of 405.29 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 86887068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).