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

C19H17N3O4 — CID 110325097

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

1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-phenylurea (PubChem CID 110325097) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-phenylurea.

Molecular Properties

• Compound Name: 1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-phenylurea
• PubChem CID: 110325097
• Molecular Formula: C19H17N3O4
• Molecular Weight: 351.36 g/mol
• Exact Mass: 351.12
• IUPAC Name: 1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-phenylurea
• SMILES: O=C(NCc1cc2cc3c(cc2[nH]c1=O)OCCO3)Nc1ccccc1
• InChI: InChI=1S/C19H17N3O4/c23-18-13(11-20-19(24)21-14-4-2-1-3-5-14)8-12-9-16-17(10-15(12)22-18)26-7-6-25-16/h1-5,8-10H,6-7,11H2,(H,22,23)(H2,20,21,24)
• InChIKey: DBDXWROOKWSLMQ-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 92.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.36
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-phenylurea (CID 110325097) is 1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-phenylurea.

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

The canonical SMILES for 1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-phenylurea is O=C(NCc1cc2cc3c(cc2[nH]c1=O)OCCO3)Nc1ccccc1.

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

The InChIKey is DBDXWROOKWSLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-18-13(11-20-19(24)21-14-4-2-1-3-5-14)8-12-9-16-17(10-15(12)22-18)26-7-6-25-16/h1-5,8-10H,6-7,11H2,(H,22,23)(H2,20,21,24).

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

1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-phenylurea has a molecular weight of 351.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-phenylurea is sourced from PubChem (CID 110325097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).