2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(2-hydroxy-5-methylphenyl)methanone

C19H15NO4 — CID 8829195

IUPAC2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)c2cnc3cc4c(cc3c2)OCCO4)c1
InChIInChI=1S/C19H15NO4/c1-11-2-3-16(21)14(6-11)19(22)13-7-12-8-17-18(24-5-4-23-17)9-15(12)20-10-13/h2-3,6-10,21H,4-5H2,1H3
InChIKeyLVCWHMVLIBAXRU-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.25
Rot. Bonds2

About 2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(2-hydroxy-5-methylphenyl)methanone

2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(2-hydroxy-5-methylphenyl)methanone (PubChem CID 8829195) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(2-hydroxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(2-hydroxy-5-methylphenyl)methanone
PubChem CID8829195
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(2-hydroxy-5-methylphenyl)methanone
SMILESCc1ccc(O)c(C(=O)c2cnc3cc4c(cc3c2)OCCO4)c1
InChIInChI=1S/C19H15NO4/c1-11-2-3-16(21)14(6-11)19(22)13-7-12-8-17-18(24-5-4-23-17)9-15(12)20-10-13/h2-3,6-10,21H,4-5H2,1H3
InChIKeyLVCWHMVLIBAXRU-UHFFFAOYSA-N
XLogP3.25
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(2-hydroxy-5-methylphenyl)methanone?
The IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(2-hydroxy-5-methylphenyl)methanone (CID 8829195) is 2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(2-hydroxy-5-methylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(2-hydroxy-5-methylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(2-hydroxy-5-methylphenyl)methanone is Cc1ccc(O)c(C(=O)c2cnc3cc4c(cc3c2)OCCO4)c1.
What is the InChIKey of 2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(2-hydroxy-5-methylphenyl)methanone?
The InChIKey is LVCWHMVLIBAXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-11-2-3-16(21)14(6-11)19(22)13-7-12-8-17-18(24-5-4-23-17)9-15(12)20-10-13/h2-3,6-10,21H,4-5H2,1H3.
What are the key properties of 2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(2-hydroxy-5-methylphenyl)methanone?
2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(2-hydroxy-5-methylphenyl)methanone has a molecular weight of 321.33 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl-(2-hydroxy-5-methylphenyl)methanone is sourced from PubChem (CID 8829195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).