2-[(3-acetyl-4-pyridinyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one

C19H19NO3 — CID 118558014

IUPAC2-[(3-acetyl-4-pyridinyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)CCC(Cc1ccncc1C(C)=O)C2=O
InChIInChI=1S/C19H19NO3/c1-12(21)18-11-20-8-7-14(18)9-15-4-3-13-10-16(23-2)5-6-17(13)19(15)22/h5-8,10-11,15H,3-4,9H2,1-2H3
InChIKeySXPTXGUFNHCOPK-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.28
Rot. Bonds4

About 2-[(3-acetyl-4-pyridinyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one

2-[(3-acetyl-4-pyridinyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 118558014) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[(3-acetyl-4-pyridinyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-[(3-acetyl-4-pyridinyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID118558014
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-[(3-acetyl-4-pyridinyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1ccc2c(c1)CCC(Cc1ccncc1C(C)=O)C2=O
InChIInChI=1S/C19H19NO3/c1-12(21)18-11-20-8-7-14(18)9-15-4-3-13-10-16(23-2)5-6-17(13)19(15)22/h5-8,10-11,15H,3-4,9H2,1-2H3
InChIKeySXPTXGUFNHCOPK-UHFFFAOYSA-N
XLogP3.28
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-acetyl-4-pyridinyl)methyl]-5-methyl-2,3-dihydroinden-1-one
CID 118557861
3-[(2S)-6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]propanoic acid
CID 129394210
2-[[3-acetyl-1-[(4-chlorophenyl)methyl]pyridin-1-ium-4-yl]methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one bromide
CID 118557818
2-[[3-acetyl-1-[(3-fluorophenyl)methyl]pyridin-1-ium-4-yl]methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one bromide
CID 118558018
(2R)-2-benzyl-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 101410052
(2S)-2-[(dimethylamino)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 70254705
2-[hydroxy(pyridin-4-yl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 178159401
3-(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid
CID 10776928
6-methoxy-2-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one
CID 12067529
3-hydroxy-2-(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)propanoic acid
CID 70957135
2-methoxy-6-(3-methyl-4-pyridinyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 177232071
4-[6-(4-methoxyphenyl)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]butanoic acid
CID 143529160

Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetyl-4-pyridinyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-[(3-acetyl-4-pyridinyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one (CID 118558014) is 2-[(3-acetyl-4-pyridinyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-[(3-acetyl-4-pyridinyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-[(3-acetyl-4-pyridinyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one is COc1ccc2c(c1)CCC(Cc1ccncc1C(C)=O)C2=O.
What is the InChIKey of 2-[(3-acetyl-4-pyridinyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is SXPTXGUFNHCOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-12(21)18-11-20-8-7-14(18)9-15-4-3-13-10-16(23-2)5-6-17(13)19(15)22/h5-8,10-11,15H,3-4,9H2,1-2H3.
What are the key properties of 2-[(3-acetyl-4-pyridinyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one?
2-[(3-acetyl-4-pyridinyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 309.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetyl-4-pyridinyl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 118558014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).