(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone

C21H25FN4O — CID 166620694

About (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone

(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 166620694) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
• PubChem CID: 166620694
• Molecular Formula: C21H25FN4O
• Molecular Weight: 368.46 g/mol
• Exact Mass: 368.20
• IUPAC Name: (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
• SMILES: Cc1ccc(CC2CCN(C(=O)c3nc(N)nc4c3CCCC4)C2)cc1F
• InChI: InChI=1S/C21H25FN4O/c1-13-6-7-14(11-17(13)22)10-15-8-9-26(12-15)20(27)19-16-4-2-3-5-18(16)24-21(23)25-19/h6-7,11,15H,2-5,8-10,12H2,1H3,(H2,23,24,25)
• InChIKey: ZXRVCOJPUFRXRH-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 72.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.46
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone?

The IUPAC name of (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone (CID 166620694) is (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone is Cc1ccc(CC2CCN(C(=O)c3nc(N)nc4c3CCCC4)C2)cc1F.

What is the InChIKey of (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone?

The InChIKey is ZXRVCOJPUFRXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-13-6-7-14(11-17(13)22)10-15-8-9-26(12-15)20(27)19-16-4-2-3-5-18(16)24-21(23)25-19/h6-7,11,15H,2-5,8-10,12H2,1H3,(H2,23,24,25).

What are the key properties of (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone?

(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 368.46 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166620694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).