2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide

C28H23FN4O3 — CID 135768682

About 2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide

2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide (PubChem CID 135768682) has the molecular formula C28H23FN4O3 and a molecular weight of 482.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
• PubChem CID: 135768682
• Molecular Formula: C28H23FN4O3
• Molecular Weight: 482.52 g/mol
• Exact Mass: 482.18
• IUPAC Name: 2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
• SMILES: COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12
• InChI: InChI=1S/C28H23FN4O3/c1-36-15-14-33(17-26-31-24-9-5-3-7-21(24)27(34)32-26)28(35)22-16-25(18-10-12-19(29)13-11-18)30-23-8-4-2-6-20(22)23/h2-13,16H,14-15,17H2,1H3,(H,31,32,34)
• InChIKey: BNMVGTXHVVGOHN-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.52
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide?

The IUPAC name of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide (CID 135768682) is 2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide.

What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide?

The canonical SMILES for 2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide is COCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12.

What is the InChIKey of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide?

The InChIKey is BNMVGTXHVVGOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O3/c1-36-15-14-33(17-26-31-24-9-5-3-7-21(24)27(34)32-26)28(35)22-16-25(18-10-12-19(29)13-11-18)30-23-8-4-2-6-20(22)23/h2-13,16H,14-15,17H2,1H3,(H,31,32,34).

What are the key properties of 2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide?

2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide has a molecular weight of 482.52 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 135768682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).