(2S)-N-(4-amino-7-methoxyquinazolin-6-yl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide

C24H35N7O4 — CID 56924855

About (2S)-N-(4-amino-7-methoxyquinazolin-6-yl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide

(2S)-N-(4-amino-7-methoxyquinazolin-6-yl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide (PubChem CID 56924855) has the molecular formula C24H35N7O4 and a molecular weight of 485.59 g/mol. Its IUPAC name is (2S)-N-(4-amino-7-methoxyquinazolin-6-yl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-(4-amino-7-methoxyquinazolin-6-yl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
• PubChem CID: 56924855
• Molecular Formula: C24H35N7O4
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.28
• IUPAC Name: (2S)-N-(4-amino-7-methoxyquinazolin-6-yl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide
• SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(N)ncnc2cc1OC)C(C)(C)C
• InChI: InChI=1S/C24H35N7O4/c1-13(26-5)21(32)30-19(24(2,3)4)23(34)31-9-7-8-17(31)22(33)29-16-10-14-15(11-18(16)35-6)27-12-28-20(14)25/h10-13,17,19,26H,7-9H2,1-6H3,(H,29,33)(H,30,32)(H2,25,27,28)/t13-,17-,19+/m0/s1
• InChIKey: HFLCFGCCOCIMHS-SOVGHPHASA-N
• XLogP: 1.29
• TPSA: 151.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-amino-7-methoxyquinazolin-6-yl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-N-(4-amino-7-methoxyquinazolin-6-yl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide (CID 56924855) is (2S)-N-(4-amino-7-methoxyquinazolin-6-yl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-N-(4-amino-7-methoxyquinazolin-6-yl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-N-(4-amino-7-methoxyquinazolin-6-yl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc2c(N)ncnc2cc1OC)C(C)(C)C.

What is the InChIKey of (2S)-N-(4-amino-7-methoxyquinazolin-6-yl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide?

The InChIKey is HFLCFGCCOCIMHS-SOVGHPHASA-N. The full InChI is InChI=1S/C24H35N7O4/c1-13(26-5)21(32)30-19(24(2,3)4)23(34)31-9-7-8-17(31)22(33)29-16-10-14-15(11-18(16)35-6)27-12-28-20(14)25/h10-13,17,19,26H,7-9H2,1-6H3,(H,29,33)(H,30,32)(H2,25,27,28)/t13-,17-,19+/m0/s1.

What are the key properties of (2S)-N-(4-amino-7-methoxyquinazolin-6-yl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide?

(2S)-N-(4-amino-7-methoxyquinazolin-6-yl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 1.29, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(4-amino-7-methoxyquinazolin-6-yl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56924855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).