3-morpholin-4-yl-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide

C21H26N4O3 — CID 66965535

About 3-morpholin-4-yl-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide

3-morpholin-4-yl-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide (PubChem CID 66965535) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-morpholin-4-yl-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide
• PubChem CID: 66965535
• Molecular Formula: C21H26N4O3
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: 3-morpholin-4-yl-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide
• SMILES: O=C(CCN1CCOCC1)Nc1cccc(-c2n[nH]c(=O)c3c2CCCC3)c1
• InChI: InChI=1S/C21H26N4O3/c26-19(8-9-25-10-12-28-13-11-25)22-16-5-3-4-15(14-16)20-17-6-1-2-7-18(17)21(27)24-23-20/h3-5,14H,1-2,6-13H2,(H,22,26)(H,24,27)
• InChIKey: MOUAGXZQGUSHGJ-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide?

The IUPAC name of 3-morpholin-4-yl-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide (CID 66965535) is 3-morpholin-4-yl-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide.

What is the SMILES notation for 3-morpholin-4-yl-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide?

The canonical SMILES for 3-morpholin-4-yl-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide is O=C(CCN1CCOCC1)Nc1cccc(-c2n[nH]c(=O)c3c2CCCC3)c1.

What is the InChIKey of 3-morpholin-4-yl-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide?

The InChIKey is MOUAGXZQGUSHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-19(8-9-25-10-12-28-13-11-25)22-16-5-3-4-15(14-16)20-17-6-1-2-7-18(17)21(27)24-23-20/h3-5,14H,1-2,6-13H2,(H,22,26)(H,24,27).

What are the key properties of 3-morpholin-4-yl-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide?

3-morpholin-4-yl-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide has a molecular weight of 382.46 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-morpholin-4-yl-N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 66965535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).