(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

C25H24N4O3 — CID 135881182

About (2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide

(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (PubChem CID 135881182) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is (2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: (2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
• PubChem CID: 135881182
• Molecular Formula: C25H24N4O3
• Molecular Weight: 428.49 g/mol
• Exact Mass: 428.18
• IUPAC Name: (2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
• SMILES: C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C25H24N4O3/c1-16(26-23(30)14-18-10-7-9-17-8-3-4-11-19(17)18)25(32)29(2)15-22-27-21-13-6-5-12-20(21)24(31)28-22/h3-13,16H,14-15H2,1-2H3,(H,26,30)(H,27,28,31)/t16-/m0/s1
• InChIKey: AIJQAVQLMYXYOL-INIZCTEOSA-N
• XLogP: 2.78
• TPSA: 95.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.49
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

The IUPAC name of (2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide (CID 135881182) is (2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide.

What is the SMILES notation for (2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

The canonical SMILES for (2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1.

What is the InChIKey of (2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

The InChIKey is AIJQAVQLMYXYOL-INIZCTEOSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-16(26-23(30)14-18-10-7-9-17-8-3-4-11-19(17)18)25(32)29(2)15-22-27-21-13-6-5-12-20(21)24(31)28-22/h3-13,16H,14-15H2,1-2H3,(H,26,30)(H,27,28,31)/t16-/m0/s1.

What are the key properties of (2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide?

(2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide has a molecular weight of 428.49 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide is sourced from PubChem (CID 135881182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).