(5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C15H14BrNO3 — CID 110749680

IUPAC(5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)N(C(=O)c1ccc(Br)o1)CCC2
InChIInChI=1S/C15H14BrNO3/c1-19-11-5-4-10-3-2-8-17(12(10)9-11)15(18)13-6-7-14(16)20-13/h4-7,9H,2-3,8H2,1H3
InChIKeyBXQDIPYLYVTKLW-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.64
Rot. Bonds2

About (5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

(5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 110749680) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID110749680
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name(5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)N(C(=O)c1ccc(Br)o1)CCC2
InChIInChI=1S/C15H14BrNO3/c1-19-11-5-4-10-3-2-8-17(12(10)9-11)15(18)13-6-7-14(16)20-13/h4-7,9H,2-3,8H2,1H3
InChIKeyBXQDIPYLYVTKLW-UHFFFAOYSA-N
XLogP3.64
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

(5-bromofuran-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 113228436
tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 59556816
1-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)prop-2-en-1-one
CID 139020307
(4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 167968828
2-[3-(7-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetic acid
CID 136552165
[2-formyl-4-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]boronic acid
CID 166432580
1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110749866
(5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 32823800
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 28707170
5-bromo-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]furan-2-carboxamide
CID 7586241
1-[2-(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]pyrrolidin-2-one
CID 71855025
(4-bromo-1-methylpyrrol-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60701144

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 110749680) is (5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1ccc2c(c1)N(C(=O)c1ccc(Br)o1)CCC2.
What is the InChIKey of (5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is BXQDIPYLYVTKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-19-11-5-4-10-3-2-8-17(12(10)9-11)15(18)13-6-7-14(16)20-13/h4-7,9H,2-3,8H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
(5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 336.19 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 110749680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).