2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone

C19H20N2O3 — CID 24678440

IUPAC2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCCc2ncccc21
InChIInChI=1S/C19H20N2O3/c1-13(22)14-7-8-18(24-2)15(11-14)12-19(23)21-10-4-5-16-17(21)6-3-9-20-16/h3,6-9,11H,4-5,10,12H2,1-2H3
InChIKeyQJRCMTBIMMMSNJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.81
Rot. Bonds4

About 2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone

2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone (PubChem CID 24678440) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone
PubChem CID24678440
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCCc2ncccc21
InChIInChI=1S/C19H20N2O3/c1-13(22)14-7-8-18(24-2)15(11-14)12-19(23)21-10-4-5-16-17(21)6-3-9-20-16/h3,6-9,11H,4-5,10,12H2,1-2H3
InChIKeyQJRCMTBIMMMSNJ-UHFFFAOYSA-N
XLogP2.81
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43024576
(E)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one
CID 24678481
1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 62019174
2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 18152993
3,4-dihydro-2H-1,5-naphthyridin-1-yl-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 24678506
(3,4-difluorophenyl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
CID 24678454
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
CID 71911930
(2R)-4-[2-(5-acetyl-2-methoxyphenyl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 39910688
2-(4-acetyl-2-methoxyphenoxy)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 26083759
2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
CID 42932877
2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone
CID 71936525

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone (CID 24678440) is 2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone is COc1ccc(C(C)=O)cc1CC(=O)N1CCCc2ncccc21.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone?
The InChIKey is QJRCMTBIMMMSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(22)14-7-8-18(24-2)15(11-14)12-19(23)21-10-4-5-16-17(21)6-3-9-20-16/h3,6-9,11H,4-5,10,12H2,1-2H3.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone?
2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone has a molecular weight of 324.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone is sourced from PubChem (CID 24678440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).