2-(1,3-benzodioxol-5-ylmethyl)-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione

C17H16N2O5 — CID 151848895

IUPAC2-(1,3-benzodioxol-5-ylmethyl)-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
SMILESCn1cc2c(c(O)c1=O)C(=O)N(Cc1ccc3c(c1)OCO3)CC2
InChIInChI=1S/C17H16N2O5/c1-18-8-11-4-5-19(16(21)14(11)15(20)17(18)22)7-10-2-3-12-13(6-10)24-9-23-12/h2-3,6,8,20H,4-5,7,9H2,1H3
InChIKeySIGFQMOSPSMXRW-UHFFFAOYSA-N
MW328.32 g/mol
LogP1.02
Rot. Bonds2

About 2-(1,3-benzodioxol-5-ylmethyl)-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione

2-(1,3-benzodioxol-5-ylmethyl)-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione (PubChem CID 151848895) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethyl)-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethyl)-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
PubChem CID151848895
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name2-(1,3-benzodioxol-5-ylmethyl)-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
SMILESCn1cc2c(c(O)c1=O)C(=O)N(Cc1ccc3c(c1)OCO3)CC2
InChIInChI=1S/C17H16N2O5/c1-18-8-11-4-5-19(16(21)14(11)15(20)17(18)22)7-10-2-3-12-13(6-10)24-9-23-12/h2-3,6,8,20H,4-5,7,9H2,1H3
InChIKeySIGFQMOSPSMXRW-UHFFFAOYSA-N
XLogP1.02
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzodioxol-5-ylmethyl)-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione with MolForge

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Related Compounds

7-(1,3-benzodioxol-5-ylmethyl)-6H-[1,3]dioxolo[4,5-g]isoindol-8-one
CID 11849964
(5R)-1,4-bis(1,3-benzodioxol-5-ylmethyl)-5-methylpiperazine-2,3-dione
CID 2053491
1-(1,3-benzodioxol-5-ylmethyl)-1,3-diazinan-2-one;hydrobromide
CID 141132278
1-(1,3-benzodioxol-5-ylmethyl)piperazine-2,5-dione
CID 64955374
1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-one
CID 82132978
1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 47050188
4-(1,3-benzodioxol-5-ylmethyl)-6-(hydroxymethyl)morpholin-3-one
CID 117008957
3-(1,3-benzodioxol-5-ylmethyl)-1,2,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 10450067
1-(1,3-benzodioxol-5-ylmethyl)-3-(ethylamino)pyrrolidin-2-one
CID 62906981
1,7,13-tris(3-aminopropyl)-4,10,16-tris(1,3-benzodioxol-5-ylmethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 71745802
4-(1,3-benzodioxol-5-ylmethyl)-1-ethylpiperazin-2-one
CID 117013566
1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine
CID 137450994

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethyl)-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethyl)-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione (CID 151848895) is 2-(1,3-benzodioxol-5-ylmethyl)-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethyl)-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethyl)-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione is Cn1cc2c(c(O)c1=O)C(=O)N(Cc1ccc3c(c1)OCO3)CC2.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethyl)-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione?
The InChIKey is SIGFQMOSPSMXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-18-8-11-4-5-19(16(21)14(11)15(20)17(18)22)7-10-2-3-12-13(6-10)24-9-23-12/h2-3,6,8,20H,4-5,7,9H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-ylmethyl)-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione?
2-(1,3-benzodioxol-5-ylmethyl)-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione has a molecular weight of 328.32 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethyl)-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione is sourced from PubChem (CID 151848895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).