(E)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one

C20H20FNO2 — CID 898698

IUPAC(E)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1
InChIInChI=1S/C20H20FNO2/c1-14-3-7-16-13-17(21)8-11-19(16)22(14)20(23)12-6-15-4-9-18(24-2)10-5-15/h4-6,8-14H,3,7H2,1-2H3/b12-6+/t14-/m1/s1
InChIKeyADGNMTYOBLMDMP-TZWLIRKLSA-N
MW325.38 g/mol
LogP4.22
Rot. Bonds3

About (E)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one

(E)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 898698) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is (E)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID898698
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name(E)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(/C=C/C(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1
InChIInChI=1S/C20H20FNO2/c1-14-3-7-16-13-17(21)8-11-19(16)22(14)20(23)12-6-15-4-9-18(24-2)10-5-15/h4-6,8-14H,3,7H2,1-2H3/b12-6+/t14-/m1/s1
InChIKeyADGNMTYOBLMDMP-TZWLIRKLSA-N
XLogP4.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 3648502
3-(4-tert-butylphenyl)-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
CID 5139382
(E)-1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one
CID 903270
(E)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one
CID 903272
(3,5-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 646590
6-fluoro-N-(4-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 17284495
2-(3,4-dimethoxyphenyl)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 40599402
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanenitrile
CID 4107945
(E)-3-(4-methoxyphenyl)-1-[(2R,5R)-4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 1009678
2-(4-chlorophenyl)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 40591218
[3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4200957
(E)-3-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 881729

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one (CID 898698) is (E)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(/C=C/C(=O)N2c3ccc(F)cc3CC[C@H]2C)cc1.
What is the InChIKey of (E)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is ADGNMTYOBLMDMP-TZWLIRKLSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-14-3-7-16-13-17(21)8-11-19(16)22(14)20(23)12-6-15-4-9-18(24-2)10-5-15/h4-6,8-14H,3,7H2,1-2H3/b12-6+/t14-/m1/s1.
What are the key properties of (E)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one?
(E)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 325.38 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 898698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).