2-chloro-N-[[4-[2-[4-(dimethylamino)quinazolin-2-yl]cyclopropyl]cyclohexyl]methyl]-4-fluorobenzamide

C27H30ClFN4O — CID 142230884

About 2-chloro-N-[[4-[2-[4-(dimethylamino)quinazolin-2-yl]cyclopropyl]cyclohexyl]methyl]-4-fluorobenzamide

2-chloro-N-[[4-[2-[4-(dimethylamino)quinazolin-2-yl]cyclopropyl]cyclohexyl]methyl]-4-fluorobenzamide (PubChem CID 142230884) has the molecular formula C27H30ClFN4O and a molecular weight of 481.02 g/mol. Its IUPAC name is 2-chloro-N-[[4-[2-[4-(dimethylamino)quinazolin-2-yl]cyclopropyl]cyclohexyl]methyl]-4-fluorobenzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[[4-[2-[4-(dimethylamino)quinazolin-2-yl]cyclopropyl]cyclohexyl]methyl]-4-fluorobenzamide
• PubChem CID: 142230884
• Molecular Formula: C27H30ClFN4O
• Molecular Weight: 481.02 g/mol
• Exact Mass: 480.21
• IUPAC Name: 2-chloro-N-[[4-[2-[4-(dimethylamino)quinazolin-2-yl]cyclopropyl]cyclohexyl]methyl]-4-fluorobenzamide
• SMILES: CN(C)c1nc(C2CC2C2CCC(CNC(=O)c3ccc(F)cc3Cl)CC2)nc2ccccc12
• InChI: InChI=1S/C27H30ClFN4O/c1-33(2)26-20-5-3-4-6-24(20)31-25(32-26)22-14-21(22)17-9-7-16(8-10-17)15-30-27(34)19-12-11-18(29)13-23(19)28/h3-6,11-13,16-17,21-22H,7-10,14-15H2,1-2H3,(H,30,34)
• InChIKey: HHQBNHHWXDRYHL-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.02
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-[2-[4-(dimethylamino)quinazolin-2-yl]cyclopropyl]cyclohexyl]methyl]-4-fluorobenzamide?

The IUPAC name of 2-chloro-N-[[4-[2-[4-(dimethylamino)quinazolin-2-yl]cyclopropyl]cyclohexyl]methyl]-4-fluorobenzamide (CID 142230884) is 2-chloro-N-[[4-[2-[4-(dimethylamino)quinazolin-2-yl]cyclopropyl]cyclohexyl]methyl]-4-fluorobenzamide.

What is the SMILES notation for 2-chloro-N-[[4-[2-[4-(dimethylamino)quinazolin-2-yl]cyclopropyl]cyclohexyl]methyl]-4-fluorobenzamide?

The canonical SMILES for 2-chloro-N-[[4-[2-[4-(dimethylamino)quinazolin-2-yl]cyclopropyl]cyclohexyl]methyl]-4-fluorobenzamide is CN(C)c1nc(C2CC2C2CCC(CNC(=O)c3ccc(F)cc3Cl)CC2)nc2ccccc12.

What is the InChIKey of 2-chloro-N-[[4-[2-[4-(dimethylamino)quinazolin-2-yl]cyclopropyl]cyclohexyl]methyl]-4-fluorobenzamide?

The InChIKey is HHQBNHHWXDRYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClFN4O/c1-33(2)26-20-5-3-4-6-24(20)31-25(32-26)22-14-21(22)17-9-7-16(8-10-17)15-30-27(34)19-12-11-18(29)13-23(19)28/h3-6,11-13,16-17,21-22H,7-10,14-15H2,1-2H3,(H,30,34).

What are the key properties of 2-chloro-N-[[4-[2-[4-(dimethylamino)quinazolin-2-yl]cyclopropyl]cyclohexyl]methyl]-4-fluorobenzamide?

2-chloro-N-[[4-[2-[4-(dimethylamino)quinazolin-2-yl]cyclopropyl]cyclohexyl]methyl]-4-fluorobenzamide has a molecular weight of 481.02 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[[4-[2-[4-(dimethylamino)quinazolin-2-yl]cyclopropyl]cyclohexyl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 142230884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).