(4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C17H18BrNO3 — CID 167968828

IUPAC(4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1c(C)oc(C)c1Br
InChIInChI=1S/C17H18BrNO3/c1-10-15(16(18)11(2)22-10)17(20)19-8-4-5-12-9-13(21-3)6-7-14(12)19/h6-7,9H,4-5,8H2,1-3H3
InChIKeyQFACMVWPKQOFND-UHFFFAOYSA-N
MW364.24 g/mol
LogP4.26
Rot. Bonds2

About (4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

(4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 167968828) has the molecular formula C17H18BrNO3 and a molecular weight of 364.24 g/mol. Its IUPAC name is (4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID167968828
Molecular FormulaC17H18BrNO3
Molecular Weight364.24 g/mol
Exact Mass363.05
IUPAC Name(4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1c(C)oc(C)c1Br
InChIInChI=1S/C17H18BrNO3/c1-10-15(16(18)11(2)22-10)17(20)19-8-4-5-12-9-13(21-3)6-7-14(12)19/h6-7,9H,4-5,8H2,1-3H3
InChIKeyQFACMVWPKQOFND-UHFFFAOYSA-N
XLogP4.26
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

(4-bromo-2,5-dimethylfuran-3-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55872666
(3,5-dimethyl-1H-pyrazol-4-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61258727
(4-bromo-1-methylpyrrol-2-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60701144
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
(5-bromofuran-2-yl)-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110749680
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 18122068
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46543036
(6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63979492
(2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 42929684
(2R)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
CID 30257325
N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 38198162
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-piperidin-4-ylmethanone
CID 61261030

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 167968828) is (4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1ccc2c(c1)CCCN2C(=O)c1c(C)oc(C)c1Br.
What is the InChIKey of (4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is QFACMVWPKQOFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO3/c1-10-15(16(18)11(2)22-10)17(20)19-8-4-5-12-9-13(21-3)6-7-14(12)19/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of (4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 364.24 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethylfuran-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 167968828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).