N-(3-hydroxypropyl)-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzamide

C22H22N2O5 — CID 3194323

About N-(3-hydroxypropyl)-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzamide

N-(3-hydroxypropyl)-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzamide (PubChem CID 3194323) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-(3-hydroxypropyl)-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzamide
• PubChem CID: 3194323
• Molecular Formula: C22H22N2O5
• Molecular Weight: 394.43 g/mol
• Exact Mass: 394.15
• IUPAC Name: N-(3-hydroxypropyl)-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzamide
• SMILES: O=C(c1ccccc1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3
• InChI: InChI=1S/C22H22N2O5/c25-8-4-7-24(22(27)15-5-2-1-3-6-15)14-17-11-16-12-19-20(29-10-9-28-19)13-18(16)23-21(17)26/h1-3,5-6,11-13,25H,4,7-10,14H2,(H,23,26)
• InChIKey: AGUDYWCUQGCROD-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 91.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.43
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzamide?

The IUPAC name of N-(3-hydroxypropyl)-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzamide (CID 3194323) is N-(3-hydroxypropyl)-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzamide.

What is the SMILES notation for N-(3-hydroxypropyl)-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzamide?

The canonical SMILES for N-(3-hydroxypropyl)-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzamide is O=C(c1ccccc1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3.

What is the InChIKey of N-(3-hydroxypropyl)-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzamide?

The InChIKey is AGUDYWCUQGCROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c25-8-4-7-24(22(27)15-5-2-1-3-6-15)14-17-11-16-12-19-20(29-10-9-28-19)13-18(16)23-21(17)26/h1-3,5-6,11-13,25H,4,7-10,14H2,(H,23,26).

What are the key properties of N-(3-hydroxypropyl)-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzamide?

N-(3-hydroxypropyl)-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzamide has a molecular weight of 394.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-hydroxypropyl)-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzamide is sourced from PubChem (CID 3194323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).