(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(2,4-dimethylphenyl)prop-2-en-1-one

C19H20N2O — CID 24678548

IUPAC(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(2,4-dimethylphenyl)prop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)N2CCCc3ncccc32)c(C)c1
InChIInChI=1S/C19H20N2O/c1-14-7-8-16(15(2)13-14)9-10-19(22)21-12-4-5-17-18(21)6-3-11-20-17/h3,6-11,13H,4-5,12H2,1-2H3/b10-9+
InChIKeyGNIJRQYDYHDGOU-MDZDMXLPSA-N
MW292.38 g/mol
LogP3.69
Rot. Bonds2

About (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(2,4-dimethylphenyl)prop-2-en-1-one

(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(2,4-dimethylphenyl)prop-2-en-1-one (PubChem CID 24678548) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(2,4-dimethylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(2,4-dimethylphenyl)prop-2-en-1-one
PubChem CID24678548
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(2,4-dimethylphenyl)prop-2-en-1-one
SMILESCc1ccc(/C=C/C(=O)N2CCCc3ncccc32)c(C)c1
InChIInChI=1S/C19H20N2O/c1-14-7-8-16(15(2)13-14)9-10-19(22)21-12-4-5-17-18(21)6-3-11-20-17/h3,6-11,13H,4-5,12H2,1-2H3/b10-9+
InChIKeyGNIJRQYDYHDGOU-MDZDMXLPSA-N
XLogP3.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-bromophenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)prop-2-en-1-one
CID 24678434
(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 24653451
(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one
CID 24678481
1-[4-[(E)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-oxoprop-1-enyl]phenyl]pyrrolidin-2-one
CID 24653461
3,4-dihydro-2H-1,5-naphthyridin-1-yl-(4-methyl-3-pyrrol-1-ylphenyl)methanone
CID 24678563
(E)-3-(2,4-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)prop-2-en-1-one
CID 80706744
(E)-3-(2,4-dimethylphenyl)-1-piperazin-1-ylprop-2-en-1-one
CID 112708519
(E)-3-(2,4-dimethylphenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 60703625
(1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
CID 136544164
(3,4-difluorophenyl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
CID 24678454
(E)-3-(2,4-dimethylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one
CID 24618178
3-(2,4-dimethylphenyl)-1-[4-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 126771884

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(2,4-dimethylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(2,4-dimethylphenyl)prop-2-en-1-one (CID 24678548) is (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(2,4-dimethylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(2,4-dimethylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(2,4-dimethylphenyl)prop-2-en-1-one is Cc1ccc(/C=C/C(=O)N2CCCc3ncccc32)c(C)c1.
What is the InChIKey of (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(2,4-dimethylphenyl)prop-2-en-1-one?
The InChIKey is GNIJRQYDYHDGOU-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14-7-8-16(15(2)13-14)9-10-19(22)21-12-4-5-17-18(21)6-3-11-20-17/h3,6-11,13H,4-5,12H2,1-2H3/b10-9+.
What are the key properties of (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(2,4-dimethylphenyl)prop-2-en-1-one?
(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(2,4-dimethylphenyl)prop-2-en-1-one has a molecular weight of 292.38 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(2,4-dimethylphenyl)prop-2-en-1-one is sourced from PubChem (CID 24678548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).