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

C17H15BrN2O — CID 24678434

IUPAC(E)-3-(2-bromophenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1Br)N1CCCc2ncccc21
InChIInChI=1S/C17H15BrN2O/c18-14-6-2-1-5-13(14)9-10-17(21)20-12-4-7-15-16(20)8-3-11-19-15/h1-3,5-6,8-11H,4,7,12H2/b10-9+
InChIKeyVHERBRVVJQUGLE-MDZDMXLPSA-N
MW343.22 g/mol
LogP3.84
Rot. Bonds2

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

(E)-3-(2-bromophenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)prop-2-en-1-one (PubChem CID 24678434) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)prop-2-en-1-one
PubChem CID24678434
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name(E)-3-(2-bromophenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1Br)N1CCCc2ncccc21
InChIInChI=1S/C17H15BrN2O/c18-14-6-2-1-5-13(14)9-10-17(21)20-12-4-7-15-16(20)8-3-11-19-15/h1-3,5-6,8-11H,4,7,12H2/b10-9+
InChIKeyVHERBRVVJQUGLE-MDZDMXLPSA-N
XLogP3.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.84
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)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(2,4-dimethylphenyl)prop-2-en-1-one
CID 24678548
(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 24653451
1-[4-[(E)-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-oxoprop-1-enyl]phenyl]pyrrolidin-2-one
CID 24653461
(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one
CID 24678481
(2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one
CID 95157678
(E)-1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 891210
(3,4-difluorophenyl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
CID 24678454
4-[(E)-3-(2-bromophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
CID 51166272
1-[(Z)-2-(2-bromophenyl)ethenyl]pyrrolidin-2-one
CID 56964850
1-[4-[(E)-3-(2-bromophenyl)prop-2-enoyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18170780
tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 59566496
(1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-bromophenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)prop-2-en-1-one (CID 24678434) is (E)-3-(2-bromophenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-bromophenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-bromophenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)prop-2-en-1-one is O=C(/C=C/c1ccccc1Br)N1CCCc2ncccc21.
What is the InChIKey of (E)-3-(2-bromophenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)prop-2-en-1-one?
The InChIKey is VHERBRVVJQUGLE-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H15BrN2O/c18-14-6-2-1-5-13(14)9-10-17(21)20-12-4-7-15-16(20)8-3-11-19-15/h1-3,5-6,8-11H,4,7,12H2/b10-9+.
What are the key properties of (E)-3-(2-bromophenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)prop-2-en-1-one?
(E)-3-(2-bromophenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)prop-2-en-1-one has a molecular weight of 343.22 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-bromophenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 24678434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).