[7-(4-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol

C19H17NO4 — CID 134130602

IUPAC[7-(4-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol
SMILESCOc1ccc(-c2cc(CO)c3cc4c(cc3n2)OCCO4)cc1
InChIInChI=1S/C19H17NO4/c1-22-14-4-2-12(3-5-14)16-8-13(11-21)15-9-18-19(10-17(15)20-16)24-7-6-23-18/h2-5,8-10,21H,6-7,11H2,1H3
InChIKeyLHNWDWJJIAUQTR-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.17
Rot. Bonds3

About [7-(4-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol

[7-(4-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol (PubChem CID 134130602) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is [7-(4-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol.

Molecular Properties

Compound Name[7-(4-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol
PubChem CID134130602
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name[7-(4-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol
SMILESCOc1ccc(-c2cc(CO)c3cc4c(cc3n2)OCCO4)cc1
InChIInChI=1S/C19H17NO4/c1-22-14-4-2-12(3-5-14)16-8-13(11-21)15-9-18-19(10-17(15)20-16)24-7-6-23-18/h2-5,8-10,21H,6-7,11H2,1H3
InChIKeyLHNWDWJJIAUQTR-UHFFFAOYSA-N
XLogP3.17
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(4-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol?
The IUPAC name of [7-(4-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol (CID 134130602) is [7-(4-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol.
What is the SMILES notation for [7-(4-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol?
The canonical SMILES for [7-(4-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol is COc1ccc(-c2cc(CO)c3cc4c(cc3n2)OCCO4)cc1.
What is the InChIKey of [7-(4-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol?
The InChIKey is LHNWDWJJIAUQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-22-14-4-2-12(3-5-14)16-8-13(11-21)15-9-18-19(10-17(15)20-16)24-7-6-23-18/h2-5,8-10,21H,6-7,11H2,1H3.
What are the key properties of [7-(4-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol?
[7-(4-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol has a molecular weight of 323.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl]methanol is sourced from PubChem (CID 134130602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).