1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-N-[7-methoxy-4-(naphthalen-2-ylamino)quinazolin-6-yl]pyrrolidine-2-carboxamide

C34H41N7O4 — CID 66609074

About 1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-N-[7-methoxy-4-(naphthalen-2-ylamino)quinazolin-6-yl]pyrrolidine-2-carboxamide

1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-N-[7-methoxy-4-(naphthalen-2-ylamino)quinazolin-6-yl]pyrrolidine-2-carboxamide (PubChem CID 66609074) has the molecular formula C34H41N7O4 and a molecular weight of 611.75 g/mol. Its IUPAC name is 1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-N-[7-methoxy-4-(naphthalen-2-ylamino)quinazolin-6-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-N-[7-methoxy-4-(naphthalen-2-ylamino)quinazolin-6-yl]pyrrolidine-2-carboxamide
• PubChem CID: 66609074
• Molecular Formula: C34H41N7O4
• Molecular Weight: 611.75 g/mol
• Exact Mass: 611.32
• IUPAC Name: 1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-N-[7-methoxy-4-(naphthalen-2-ylamino)quinazolin-6-yl]pyrrolidine-2-carboxamide
• SMILES: CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)Nc1cc2c(Nc3ccc4ccccc4c3)ncnc2cc1OC)C(C)(C)C
• InChI: InChI=1S/C34H41N7O4/c1-20(35-5)31(42)40-29(34(2,3)4)33(44)41-15-9-12-27(41)32(43)39-26-17-24-25(18-28(26)45-6)36-19-37-30(24)38-23-14-13-21-10-7-8-11-22(21)16-23/h7-8,10-11,13-14,16-20,27,29,35H,9,12,15H2,1-6H3,(H,39,43)(H,40,42)(H,36,37,38)
• InChIKey: UGOQJZKIJQQVDI-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 137.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	611.75
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-N-[7-methoxy-4-(naphthalen-2-ylamino)quinazolin-6-yl]pyrrolidine-2-carboxamide?

The IUPAC name of 1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-N-[7-methoxy-4-(naphthalen-2-ylamino)quinazolin-6-yl]pyrrolidine-2-carboxamide (CID 66609074) is 1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-N-[7-methoxy-4-(naphthalen-2-ylamino)quinazolin-6-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-N-[7-methoxy-4-(naphthalen-2-ylamino)quinazolin-6-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for 1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-N-[7-methoxy-4-(naphthalen-2-ylamino)quinazolin-6-yl]pyrrolidine-2-carboxamide is CNC(C)C(=O)NC(C(=O)N1CCCC1C(=O)Nc1cc2c(Nc3ccc4ccccc4c3)ncnc2cc1OC)C(C)(C)C.

What is the InChIKey of 1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-N-[7-methoxy-4-(naphthalen-2-ylamino)quinazolin-6-yl]pyrrolidine-2-carboxamide?

The InChIKey is UGOQJZKIJQQVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N7O4/c1-20(35-5)31(42)40-29(34(2,3)4)33(44)41-15-9-12-27(41)32(43)39-26-17-24-25(18-28(26)45-6)36-19-37-30(24)38-23-14-13-21-10-7-8-11-22(21)16-23/h7-8,10-11,13-14,16-20,27,29,35H,9,12,15H2,1-6H3,(H,39,43)(H,40,42)(H,36,37,38).

What are the key properties of 1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-N-[7-methoxy-4-(naphthalen-2-ylamino)quinazolin-6-yl]pyrrolidine-2-carboxamide?

1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-N-[7-methoxy-4-(naphthalen-2-ylamino)quinazolin-6-yl]pyrrolidine-2-carboxamide has a molecular weight of 611.75 g/mol, XLogP of 4.60, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-N-[7-methoxy-4-(naphthalen-2-ylamino)quinazolin-6-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 66609074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).