2-pyrrolidin-2-yl-6-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)naphthalen-2-yl]-1H-quinolin-4-one

C30H29N5O — CID 123770326

About 2-pyrrolidin-2-yl-6-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)naphthalen-2-yl]-1H-quinolin-4-one

2-pyrrolidin-2-yl-6-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)naphthalen-2-yl]-1H-quinolin-4-one (PubChem CID 123770326) has the molecular formula C30H29N5O and a molecular weight of 475.60 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-6-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)naphthalen-2-yl]-1H-quinolin-4-one.

Molecular Properties

• Compound Name: 2-pyrrolidin-2-yl-6-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)naphthalen-2-yl]-1H-quinolin-4-one
• PubChem CID: 123770326
• Molecular Formula: C30H29N5O
• Molecular Weight: 475.60 g/mol
• Exact Mass: 475.24
• IUPAC Name: 2-pyrrolidin-2-yl-6-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)naphthalen-2-yl]-1H-quinolin-4-one
• SMILES: O=c1cc(C2CCCN2)[nH]c2ccc(-c3ccc4cc(-c5cnc(C6CCCN6)[nH]5)ccc4c3)cc12
• InChI: InChI=1S/C30H29N5O/c36-29-16-27(25-3-1-11-31-25)34-24-10-9-21(15-23(24)29)19-5-6-20-14-22(8-7-18(20)13-19)28-17-33-30(35-28)26-4-2-12-32-26/h5-10,13-17,25-26,31-32H,1-4,11-12H2,(H,33,35)(H,34,36)
• InChIKey: ZHODHIVOKIFHBV-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 85.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.60
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-6-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)naphthalen-2-yl]-1H-quinolin-4-one?

The IUPAC name of 2-pyrrolidin-2-yl-6-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)naphthalen-2-yl]-1H-quinolin-4-one (CID 123770326) is 2-pyrrolidin-2-yl-6-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)naphthalen-2-yl]-1H-quinolin-4-one.

What is the SMILES notation for 2-pyrrolidin-2-yl-6-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)naphthalen-2-yl]-1H-quinolin-4-one?

The canonical SMILES for 2-pyrrolidin-2-yl-6-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)naphthalen-2-yl]-1H-quinolin-4-one is O=c1cc(C2CCCN2)[nH]c2ccc(-c3ccc4cc(-c5cnc(C6CCCN6)[nH]5)ccc4c3)cc12.

What is the InChIKey of 2-pyrrolidin-2-yl-6-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)naphthalen-2-yl]-1H-quinolin-4-one?

The InChIKey is ZHODHIVOKIFHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O/c36-29-16-27(25-3-1-11-31-25)34-24-10-9-21(15-23(24)29)19-5-6-20-14-22(8-7-18(20)13-19)28-17-33-30(35-28)26-4-2-12-32-26/h5-10,13-17,25-26,31-32H,1-4,11-12H2,(H,33,35)(H,34,36).

What are the key properties of 2-pyrrolidin-2-yl-6-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)naphthalen-2-yl]-1H-quinolin-4-one?

2-pyrrolidin-2-yl-6-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)naphthalen-2-yl]-1H-quinolin-4-one has a molecular weight of 475.60 g/mol, XLogP of 5.59, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyrrolidin-2-yl-6-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)naphthalen-2-yl]-1H-quinolin-4-one is sourced from PubChem (CID 123770326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).