4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]butanamide

C25H29FN4O5 — CID 55455208

About 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]butanamide

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]butanamide (PubChem CID 55455208) has the molecular formula C25H29FN4O5 and a molecular weight of 484.53 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]butanamide.

Molecular Properties

• Compound Name: 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]butanamide
• PubChem CID: 55455208
• Molecular Formula: C25H29FN4O5
• Molecular Weight: 484.53 g/mol
• Exact Mass: 484.21
• IUPAC Name: 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]butanamide
• SMILES: CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O
• InChI: InChI=1S/C25H29FN4O5/c1-4-29(15-23(31)27-14-17-7-9-18(26)10-8-17)24(32)6-5-11-30-16-28-20-13-22(35-3)21(34-2)12-19(20)25(30)33/h7-10,12-13,16H,4-6,11,14-15H2,1-3H3,(H,27,31)
• InChIKey: FOXGOJCQRZFHOE-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 102.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.53
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]butanamide?

The IUPAC name of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]butanamide (CID 55455208) is 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]butanamide.

What is the SMILES notation for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]butanamide?

The canonical SMILES for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]butanamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O.

What is the InChIKey of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]butanamide?

The InChIKey is FOXGOJCQRZFHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O5/c1-4-29(15-23(31)27-14-17-7-9-18(26)10-8-17)24(32)6-5-11-30-16-28-20-13-22(35-3)21(34-2)12-19(20)25(30)33/h7-10,12-13,16H,4-6,11,14-15H2,1-3H3,(H,27,31).

What are the key properties of 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]butanamide?

4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]butanamide has a molecular weight of 484.53 g/mol, XLogP of 2.50, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]butanamide is sourced from PubChem (CID 55455208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).