N-benzyl-7-chloroquinolin-4-amine;N-benzylquinolin-4-amine;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;7-chloro-N-phenylquinolin-4-amine;N-(4-fluorophenyl)quinolin-4-amine;N-phenylquinolin-4-amine

C92H71Cl3F2N12 — CID 158603972

About N-benzyl-7-chloroquinolin-4-amine;N-benzylquinolin-4-amine;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;7-chloro-N-phenylquinolin-4-amine;N-(4-fluorophenyl)quinolin-4-amine;N-phenylquinolin-4-amine

N-benzyl-7-chloroquinolin-4-amine;N-benzylquinolin-4-amine;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;7-chloro-N-phenylquinolin-4-amine;N-(4-fluorophenyl)quinolin-4-amine;N-phenylquinolin-4-amine (PubChem CID 158603972) has the molecular formula C92H71Cl3F2N12 and a molecular weight of 1489.02 g/mol. Its IUPAC name is N-benzyl-7-chloroquinolin-4-amine;N-benzylquinolin-4-amine;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;7-chloro-N-phenylquinolin-4-amine;N-(4-fluorophenyl)quinolin-4-amine;N-phenylquinolin-4-amine.

Molecular Properties

• Compound Name: N-benzyl-7-chloroquinolin-4-amine;N-benzylquinolin-4-amine;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;7-chloro-N-phenylquinolin-4-amine;N-(4-fluorophenyl)quinolin-4-amine;N-phenylquinolin-4-amine
• PubChem CID: 158603972
• Molecular Formula: C92H71Cl3F2N12
• Molecular Weight: 1489.02 g/mol
• Exact Mass: 1486.50
• IUPAC Name: N-benzyl-7-chloroquinolin-4-amine;N-benzylquinolin-4-amine;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;7-chloro-N-phenylquinolin-4-amine;N-(4-fluorophenyl)quinolin-4-amine;N-phenylquinolin-4-amine
• SMILES: Clc1ccc2c(NCc3ccccc3)ccnc2c1.Clc1ccc2c(Nc3ccccc3)ccnc2c1.Fc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1.Fc1ccc(Nc2ccnc3ccccc23)cc1.c1ccc(CNc2ccnc3ccccc23)cc1.c1ccc(Nc2ccnc3ccccc23)cc1
• InChI: InChI=1S/C16H13ClN2.C16H14N2.C15H10ClFN2.C15H11ClN2.C15H11FN2.C15H12N2/c17-13-6-7-14-15(8-9-18-16(14)10-13)19-11-12-4-2-1-3-5-12;1-2-6-13(7-3-1)12-18-16-10-11-17-15-9-5-4-8-14(15)16;16-10-1-6-13-14(7-8-18-15(13)9-10)19-12-4-2-11(17)3-5-12;16-11-6-7-13-14(8-9-17-15(13)10-11)18-12-4-2-1-3-5-12;16-11-5-7-12(8-6-11)18-15-9-10-17-14-4-2-1-3-13(14)15;1-2-6-12(7-3-1)17-15-10-11-16-14-9-5-4-8-13(14)15/h1-10H,11H2,(H,18,19);1-11H,12H2,(H,17,18);1-9H,(H,18,19);2*1-10H,(H,17,18);1-11H,(H,16,17)
• InChIKey: HVZHCSWQRQPXCP-UHFFFAOYSA-N
• XLogP: 25.85
• TPSA: 149.52 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1489.02
LogP ≤ 5	25.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-chloroquinolin-4-amine;N-benzylquinolin-4-amine;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;7-chloro-N-phenylquinolin-4-amine;N-(4-fluorophenyl)quinolin-4-amine;N-phenylquinolin-4-amine?

The IUPAC name of N-benzyl-7-chloroquinolin-4-amine;N-benzylquinolin-4-amine;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;7-chloro-N-phenylquinolin-4-amine;N-(4-fluorophenyl)quinolin-4-amine;N-phenylquinolin-4-amine (CID 158603972) is N-benzyl-7-chloroquinolin-4-amine;N-benzylquinolin-4-amine;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;7-chloro-N-phenylquinolin-4-amine;N-(4-fluorophenyl)quinolin-4-amine;N-phenylquinolin-4-amine.

What is the SMILES notation for N-benzyl-7-chloroquinolin-4-amine;N-benzylquinolin-4-amine;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;7-chloro-N-phenylquinolin-4-amine;N-(4-fluorophenyl)quinolin-4-amine;N-phenylquinolin-4-amine?

The canonical SMILES for N-benzyl-7-chloroquinolin-4-amine;N-benzylquinolin-4-amine;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;7-chloro-N-phenylquinolin-4-amine;N-(4-fluorophenyl)quinolin-4-amine;N-phenylquinolin-4-amine is Clc1ccc2c(NCc3ccccc3)ccnc2c1.Clc1ccc2c(Nc3ccccc3)ccnc2c1.Fc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1.Fc1ccc(Nc2ccnc3ccccc23)cc1.c1ccc(CNc2ccnc3ccccc23)cc1.c1ccc(Nc2ccnc3ccccc23)cc1.

What is the InChIKey of N-benzyl-7-chloroquinolin-4-amine;N-benzylquinolin-4-amine;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;7-chloro-N-phenylquinolin-4-amine;N-(4-fluorophenyl)quinolin-4-amine;N-phenylquinolin-4-amine?

The InChIKey is HVZHCSWQRQPXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2.C16H14N2.C15H10ClFN2.C15H11ClN2.C15H11FN2.C15H12N2/c17-13-6-7-14-15(8-9-18-16(14)10-13)19-11-12-4-2-1-3-5-12;1-2-6-13(7-3-1)12-18-16-10-11-17-15-9-5-4-8-14(15)16;16-10-1-6-13-14(7-8-18-15(13)9-10)19-12-4-2-11(17)3-5-12;16-11-6-7-13-14(8-9-17-15(13)10-11)18-12-4-2-1-3-5-12;16-11-5-7-12(8-6-11)18-15-9-10-17-14-4-2-1-3-13(14)15;1-2-6-12(7-3-1)17-15-10-11-16-14-9-5-4-8-13(14)15/h1-10H,11H2,(H,18,19);1-11H,12H2,(H,17,18);1-9H,(H,18,19);2*1-10H,(H,17,18);1-11H,(H,16,17).

What are the key properties of N-benzyl-7-chloroquinolin-4-amine;N-benzylquinolin-4-amine;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;7-chloro-N-phenylquinolin-4-amine;N-(4-fluorophenyl)quinolin-4-amine;N-phenylquinolin-4-amine?

N-benzyl-7-chloroquinolin-4-amine;N-benzylquinolin-4-amine;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;7-chloro-N-phenylquinolin-4-amine;N-(4-fluorophenyl)quinolin-4-amine;N-phenylquinolin-4-amine has a molecular weight of 1489.02 g/mol, XLogP of 25.85, 14 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-7-chloroquinolin-4-amine;N-benzylquinolin-4-amine;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;7-chloro-N-phenylquinolin-4-amine;N-(4-fluorophenyl)quinolin-4-amine;N-phenylquinolin-4-amine is sourced from PubChem (CID 158603972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).