2,4-dichloro-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide

C20H18Cl2N4O3 — CID 135953923

About 2,4-dichloro-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide (PubChem CID 135953923) has the molecular formula C20H18Cl2N4O3 and a molecular weight of 433.30 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
• PubChem CID: 135953923
• Molecular Formula: C20H18Cl2N4O3
• Molecular Weight: 433.30 g/mol
• Exact Mass: 432.08
• IUPAC Name: 2,4-dichloro-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
• SMILES: CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C20H18Cl2N4O3/c1-2-26(11-17-24-16-6-4-3-5-14(16)20(29)25-17)18(27)10-23-19(28)13-8-7-12(21)9-15(13)22/h3-9H,2,10-11H2,1H3,(H,23,28)(H,24,25,29)
• InChIKey: KWFVVHPWMWUDRE-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 95.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.30
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide?

The IUPAC name of 2,4-dichloro-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide (CID 135953923) is 2,4-dichloro-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide?

The canonical SMILES for 2,4-dichloro-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1ccc(Cl)cc1Cl.

What is the InChIKey of 2,4-dichloro-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide?

The InChIKey is KWFVVHPWMWUDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O3/c1-2-26(11-17-24-16-6-4-3-5-14(16)20(29)25-17)18(27)10-23-19(28)13-8-7-12(21)9-15(13)22/h3-9H,2,10-11H2,1H3,(H,23,28)(H,24,25,29).

What are the key properties of 2,4-dichloro-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide?

2,4-dichloro-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 433.30 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 135953923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).