N-[4-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)oxy]phenyl]acetamide

C25H20N2O4 — CID 3926645

IUPACN-[4-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)oxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2cc(-c3ccccc3)c3cc4c(cc3n2)OCCO4)cc1
InChIInChI=1S/C25H20N2O4/c1-16(28)26-18-7-9-19(10-8-18)31-25-14-20(17-5-3-2-4-6-17)21-13-23-24(15-22(21)27-25)30-12-11-29-23/h2-10,13-15H,11-12H2,1H3,(H,26,28)
InChIKeyYESVKLOSBCNQOG-UHFFFAOYSA-N
MW412.45 g/mol
LogP5.42
Rot. Bonds4

About N-[4-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)oxy]phenyl]acetamide

N-[4-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)oxy]phenyl]acetamide (PubChem CID 3926645) has the molecular formula C25H20N2O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[4-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)oxy]phenyl]acetamide
PubChem CID3926645
Molecular FormulaC25H20N2O4
Molecular Weight412.45 g/mol
Exact Mass412.14
IUPAC NameN-[4-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)oxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2cc(-c3ccccc3)c3cc4c(cc3n2)OCCO4)cc1
InChIInChI=1S/C25H20N2O4/c1-16(28)26-18-7-9-19(10-8-18)31-25-14-20(17-5-3-2-4-6-17)21-13-23-24(15-22(21)27-25)30-12-11-29-23/h2-10,13-15H,11-12H2,1H3,(H,26,28)
InChIKeyYESVKLOSBCNQOG-UHFFFAOYSA-N
XLogP5.42
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)oxy]phenyl]acetamide?
The IUPAC name of N-[4-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)oxy]phenyl]acetamide (CID 3926645) is N-[4-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)oxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)oxy]phenyl]acetamide?
The canonical SMILES for N-[4-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)oxy]phenyl]acetamide is CC(=O)Nc1ccc(Oc2cc(-c3ccccc3)c3cc4c(cc3n2)OCCO4)cc1.
What is the InChIKey of N-[4-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)oxy]phenyl]acetamide?
The InChIKey is YESVKLOSBCNQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4/c1-16(28)26-18-7-9-19(10-8-18)31-25-14-20(17-5-3-2-4-6-17)21-13-23-24(15-22(21)27-25)30-12-11-29-23/h2-10,13-15H,11-12H2,1H3,(H,26,28).
What are the key properties of N-[4-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)oxy]phenyl]acetamide?
N-[4-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)oxy]phenyl]acetamide has a molecular weight of 412.45 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(9-phenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)oxy]phenyl]acetamide is sourced from PubChem (CID 3926645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).