5,6,7-trimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one

C18H19NO4 — CID 157480286

IUPAC5,6,7-trimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one
SMILESCOc1cc2c(c(OC)c1OC)C(c1cccnc1)CC(=O)C2
InChIInChI=1S/C18H19NO4/c1-21-15-8-12-7-13(20)9-14(11-5-4-6-19-10-11)16(12)18(23-3)17(15)22-2/h4-6,8,10,14H,7,9H2,1-3H3
InChIKeyBWBUSKMZUKSWFP-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.75
Rot. Bonds4

About 5,6,7-trimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one

5,6,7-trimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 157480286) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 5,6,7-trimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name5,6,7-trimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one
PubChem CID157480286
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name5,6,7-trimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one
SMILESCOc1cc2c(c(OC)c1OC)C(c1cccnc1)CC(=O)C2
InChIInChI=1S/C18H19NO4/c1-21-15-8-12-7-13(20)9-14(11-5-4-6-19-10-11)16(12)18(23-3)17(15)22-2/h4-6,8,10,14H,7,9H2,1-3H3
InChIKeyBWBUSKMZUKSWFP-UHFFFAOYSA-N
XLogP2.75
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-bromo-2-fluorophenyl)-5,6,7-trimethoxy-3,4-dihydro-1H-naphthalen-2-one
CID 149446195
4,5,6-trimethoxy-3-(3-methoxyphenyl)-2,3-dihydroinden-1-one
CID 44568001
(1R,3S)-1-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 46956305
7-methoxy-3-pyridin-3-yl-2,3-dihydrochromen-4-one
CID 22033214
5,6,7-trimethoxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one
CID 102564922
(4S)-5,7-dihydroxy-4-pyridin-3-yl-3,4-dihydrochromen-2-one
CID 74538952
(4R)-5,6,7-trimethoxy-4-quinoxalin-6-yl-3,4-dihydrochromen-2-one
CID 99998264
1-methyl-2,6-dipyridin-3-ylpiperidin-4-one
CID 67052519
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-pyridin-3-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91637214
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
8,9,10-trimethoxy-2,3,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-5-one
CID 101480602
3-pyridin-3-yl-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51043538

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 5,6,7-trimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one (CID 157480286) is 5,6,7-trimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 5,6,7-trimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 5,6,7-trimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one is COc1cc2c(c(OC)c1OC)C(c1cccnc1)CC(=O)C2.
What is the InChIKey of 5,6,7-trimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is BWBUSKMZUKSWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-21-15-8-12-7-13(20)9-14(11-5-4-6-19-10-11)16(12)18(23-3)17(15)22-2/h4-6,8,10,14H,7,9H2,1-3H3.
What are the key properties of 5,6,7-trimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one?
5,6,7-trimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 313.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-4-pyridin-3-yl-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 157480286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).