(3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C19H20FNO3 — CID 646590

IUPAC(3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2c3ccc(F)cc3CCC2C)c1
InChIInChI=1S/C19H20FNO3/c1-12-4-5-13-8-15(20)6-7-18(13)21(12)19(22)14-9-16(23-2)11-17(10-14)24-3/h6-12H,4-5H2,1-3H3
InChIKeyDXQQHBYXGNQJSR-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.82
Rot. Bonds3

About (3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 646590) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID646590
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name(3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2c3ccc(F)cc3CCC2C)c1
InChIInChI=1S/C19H20FNO3/c1-12-4-5-13-8-15(20)6-7-18(13)21(12)19(22)14-9-16(23-2)11-17(10-14)24-3/h6-12H,4-5H2,1-3H3
InChIKeyDXQQHBYXGNQJSR-UHFFFAOYSA-N
XLogP3.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 646590) is (3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1cc(OC)cc(C(=O)N2c3ccc(F)cc3CCC2C)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is DXQQHBYXGNQJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-12-4-5-13-8-15(20)6-7-18(13)21(12)19(22)14-9-16(23-2)11-17(10-14)24-3/h6-12H,4-5H2,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 329.37 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 646590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).