6-amino-2-[4-(diethylamino)-2-ethyl-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine

C32H47FN6 — CID 178025924

About 6-amino-2-[4-(diethylamino)-2-ethyl-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine

6-amino-2-[4-(diethylamino)-2-ethyl-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 178025924) has the molecular formula C32H47FN6 and a molecular weight of 534.77 g/mol. Its IUPAC name is 6-amino-2-[4-(diethylamino)-2-ethyl-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

• Compound Name: 6-amino-2-[4-(diethylamino)-2-ethyl-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
• PubChem CID: 178025924
• Molecular Formula: C32H47FN6
• Molecular Weight: 534.77 g/mol
• Exact Mass: 534.38
• IUPAC Name: 6-amino-2-[4-(diethylamino)-2-ethyl-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
• SMILES: CC12CCCN1CC(F)C2.CCCc1ccc(N)c(C#N)c1C1CCc2c(nc(CC)nc2N(CC)CC)C1
• InChI: InChI=1S/C24H33N5.C8H14FN/c1-5-9-16-11-13-20(26)19(15-25)23(16)17-10-12-18-21(14-17)27-22(6-2)28-24(18)29(7-3)8-4;1-8-3-2-4-10(8)6-7(9)5-8/h11,13,17H,5-10,12,14,26H2,1-4H3;7H,2-6H2,1H3
• InChIKey: OEAGQHQXUWUTEH-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 82.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.77
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[4-(diethylamino)-2-ethyl-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?

The IUPAC name of 6-amino-2-[4-(diethylamino)-2-ethyl-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine (CID 178025924) is 6-amino-2-[4-(diethylamino)-2-ethyl-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine.

What is the SMILES notation for 6-amino-2-[4-(diethylamino)-2-ethyl-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?

The canonical SMILES for 6-amino-2-[4-(diethylamino)-2-ethyl-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine is CC12CCCN1CC(F)C2.CCCc1ccc(N)c(C#N)c1C1CCc2c(nc(CC)nc2N(CC)CC)C1.

What is the InChIKey of 6-amino-2-[4-(diethylamino)-2-ethyl-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?

The InChIKey is OEAGQHQXUWUTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5.C8H14FN/c1-5-9-16-11-13-20(26)19(15-25)23(16)17-10-12-18-21(14-17)27-22(6-2)28-24(18)29(7-3)8-4;1-8-3-2-4-10(8)6-7(9)5-8/h11,13,17H,5-10,12,14,26H2,1-4H3;7H,2-6H2,1H3.

What are the key properties of 6-amino-2-[4-(diethylamino)-2-ethyl-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine?

6-amino-2-[4-(diethylamino)-2-ethyl-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 534.77 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[4-(diethylamino)-2-ethyl-5,6,7,8-tetrahydroquinazolin-7-yl]-3-propylbenzonitrile;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 178025924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).