(4-bromo-1-methylpyrrol-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C16H17BrN2O2 — CID 60701144

IUPAC(4-bromo-1-methylpyrrol-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1cc(Br)cn1C
InChIInChI=1S/C16H17BrN2O2/c1-18-10-12(17)9-15(18)16(20)19-7-3-4-11-8-13(21-2)5-6-14(11)19/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyLXCSAUXEHYMVTE-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.39
Rot. Bonds2

About (4-bromo-1-methylpyrrol-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

(4-bromo-1-methylpyrrol-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 60701144) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is (4-bromo-1-methylpyrrol-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrrol-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID60701144
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name(4-bromo-1-methylpyrrol-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1cc(Br)cn1C
InChIInChI=1S/C16H17BrN2O2/c1-18-10-12(17)9-15(18)16(20)19-7-3-4-11-8-13(21-2)5-6-14(11)19/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyLXCSAUXEHYMVTE-UHFFFAOYSA-N
XLogP3.39
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-bromo-1-methylpyrrol-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 167968828
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 18122068
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 55916431
(4-amino-1-methylpyrrol-2-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43642979
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
2-(2-bromophenoxy)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 41163763
2-(1-aminocyclopentyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64679011
(3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61258727
(6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63979492
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate
CID 55994688
N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 38198162

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrrol-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-bromo-1-methylpyrrol-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 60701144) is (4-bromo-1-methylpyrrol-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1-methylpyrrol-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-bromo-1-methylpyrrol-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1ccc2c(c1)CCCN2C(=O)c1cc(Br)cn1C.
What is the InChIKey of (4-bromo-1-methylpyrrol-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is LXCSAUXEHYMVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-18-10-12(17)9-15(18)16(20)19-7-3-4-11-8-13(21-2)5-6-14(11)19/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of (4-bromo-1-methylpyrrol-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-bromo-1-methylpyrrol-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 349.23 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrrol-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 60701144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).