N-(7-chloroquinolin-4-yl)-N',N'-bis(cyclopenta-2,4-dien-1-ylmethyl)ethane-1,2-diamine

C23H24ClN3 — CID 101126572

About N-(7-chloroquinolin-4-yl)-N',N'-bis(cyclopenta-2,4-dien-1-ylmethyl)ethane-1,2-diamine

N-(7-chloroquinolin-4-yl)-N',N'-bis(cyclopenta-2,4-dien-1-ylmethyl)ethane-1,2-diamine (PubChem CID 101126572) has the molecular formula C23H24ClN3 and a molecular weight of 377.92 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-N',N'-bis(cyclopenta-2,4-dien-1-ylmethyl)ethane-1,2-diamine.

Molecular Properties

• Compound Name: N-(7-chloroquinolin-4-yl)-N',N'-bis(cyclopenta-2,4-dien-1-ylmethyl)ethane-1,2-diamine
• PubChem CID: 101126572
• Molecular Formula: C23H24ClN3
• Molecular Weight: 377.92 g/mol
• Exact Mass: 377.17
• IUPAC Name: N-(7-chloroquinolin-4-yl)-N',N'-bis(cyclopenta-2,4-dien-1-ylmethyl)ethane-1,2-diamine
• SMILES: Clc1ccc2c(NCCN(CC3C=CC=C3)CC3C=CC=C3)ccnc2c1
• InChI: InChI=1S/C23H24ClN3/c24-20-9-10-21-22(11-12-25-23(21)15-20)26-13-14-27(16-18-5-1-2-6-18)17-19-7-3-4-8-19/h1-12,15,18-19H,13-14,16-17H2,(H,25,26)
• InChIKey: XZMXDHYPESABOR-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 28.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	377.92
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-N',N'-bis(cyclopenta-2,4-dien-1-ylmethyl)ethane-1,2-diamine?

The IUPAC name of N-(7-chloroquinolin-4-yl)-N',N'-bis(cyclopenta-2,4-dien-1-ylmethyl)ethane-1,2-diamine (CID 101126572) is N-(7-chloroquinolin-4-yl)-N',N'-bis(cyclopenta-2,4-dien-1-ylmethyl)ethane-1,2-diamine.

What is the SMILES notation for N-(7-chloroquinolin-4-yl)-N',N'-bis(cyclopenta-2,4-dien-1-ylmethyl)ethane-1,2-diamine?

The canonical SMILES for N-(7-chloroquinolin-4-yl)-N',N'-bis(cyclopenta-2,4-dien-1-ylmethyl)ethane-1,2-diamine is Clc1ccc2c(NCCN(CC3C=CC=C3)CC3C=CC=C3)ccnc2c1.

What is the InChIKey of N-(7-chloroquinolin-4-yl)-N',N'-bis(cyclopenta-2,4-dien-1-ylmethyl)ethane-1,2-diamine?

The InChIKey is XZMXDHYPESABOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3/c24-20-9-10-21-22(11-12-25-23(21)15-20)26-13-14-27(16-18-5-1-2-6-18)17-19-7-3-4-8-19/h1-12,15,18-19H,13-14,16-17H2,(H,25,26).

What are the key properties of N-(7-chloroquinolin-4-yl)-N',N'-bis(cyclopenta-2,4-dien-1-ylmethyl)ethane-1,2-diamine?

N-(7-chloroquinolin-4-yl)-N',N'-bis(cyclopenta-2,4-dien-1-ylmethyl)ethane-1,2-diamine has a molecular weight of 377.92 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-chloroquinolin-4-yl)-N',N'-bis(cyclopenta-2,4-dien-1-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 101126572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).