6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine

C25H27ClN6O — CID 141079632

About 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine

6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine (PubChem CID 141079632) has the molecular formula C25H27ClN6O and a molecular weight of 462.99 g/mol. Its IUPAC name is 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine.

Molecular Properties

• Compound Name: 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
• PubChem CID: 141079632
• Molecular Formula: C25H27ClN6O
• Molecular Weight: 462.99 g/mol
• Exact Mass: 462.19
• IUPAC Name: 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
• SMILES: Clc1ccc2ncc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c(NCC3CCCN3)c2c1
• InChI: InChI=1S/C25H27ClN6O/c26-16-3-5-21-19(12-16)24(29-14-17-2-1-7-27-17)20(15-28-21)25-30-22-6-4-18(13-23(22)31-25)32-8-10-33-11-9-32/h3-6,12-13,15,17,27H,1-2,7-11,14H2,(H,28,29)(H,30,31)
• InChIKey: QBAJAYXUQJDNIQ-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 78.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.99
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine?

The IUPAC name of 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine (CID 141079632) is 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine.

What is the SMILES notation for 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine?

The canonical SMILES for 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine is Clc1ccc2ncc(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c(NCC3CCCN3)c2c1.

What is the InChIKey of 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine?

The InChIKey is QBAJAYXUQJDNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN6O/c26-16-3-5-21-19(12-16)24(29-14-17-2-1-7-27-17)20(15-28-21)25-30-22-6-4-18(13-23(22)31-25)32-8-10-33-11-9-32/h3-6,12-13,15,17,27H,1-2,7-11,14H2,(H,28,29)(H,30,31).

What are the key properties of 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine?

6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine has a molecular weight of 462.99 g/mol, XLogP of 4.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine is sourced from PubChem (CID 141079632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).