4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide

C24H35N5O5 — CID 55658444

About 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide (PubChem CID 55658444) has the molecular formula C24H35N5O5 and a molecular weight of 473.57 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide.

Molecular Properties

• Compound Name: 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide
• PubChem CID: 55658444
• Molecular Formula: C24H35N5O5
• Molecular Weight: 473.57 g/mol
• Exact Mass: 473.26
• IUPAC Name: 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide
• SMILES: CCCNC(=O)CN1CCC(NC(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)CC1
• InChI: InChI=1S/C24H35N5O5/c1-4-9-25-23(31)15-28-11-7-17(8-12-28)27-22(30)6-5-10-29-16-26-19-14-21(34-3)20(33-2)13-18(19)24(29)32/h13-14,16-17H,4-12,15H2,1-3H3,(H,25,31)(H,27,30)
• InChIKey: MRYPUXJBIDUAOL-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 114.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.57
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide?

The IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide (CID 55658444) is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide.

What is the SMILES notation for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide?

The canonical SMILES for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide is CCCNC(=O)CN1CCC(NC(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)CC1.

What is the InChIKey of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide?

The InChIKey is MRYPUXJBIDUAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O5/c1-4-9-25-23(31)15-28-11-7-17(8-12-28)27-22(30)6-5-10-29-16-26-19-14-21(34-3)20(33-2)13-18(19)24(29)32/h13-14,16-17H,4-12,15H2,1-3H3,(H,25,31)(H,27,30).

What are the key properties of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide?

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide has a molecular weight of 473.57 g/mol, XLogP of 1.30, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide is sourced from PubChem (CID 55658444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).