5-chloro-7-ethyl-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolo[2,3-c]pyridazine-3-carboxamide

C25H32ClN7O2 — CID 172539818

About 5-chloro-7-ethyl-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolo[2,3-c]pyridazine-3-carboxamide

5-chloro-7-ethyl-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolo[2,3-c]pyridazine-3-carboxamide (PubChem CID 172539818) has the molecular formula C25H32ClN7O2 and a molecular weight of 498.03 g/mol. Its IUPAC name is 5-chloro-7-ethyl-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolo[2,3-c]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-7-ethyl-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolo[2,3-c]pyridazine-3-carboxamide
• PubChem CID: 172539818
• Molecular Formula: C25H32ClN7O2
• Molecular Weight: 498.03 g/mol
• Exact Mass: 497.23
• IUPAC Name: 5-chloro-7-ethyl-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolo[2,3-c]pyridazine-3-carboxamide
• SMILES: CCNC1CN(c2ccc3c(n2)CCC(NC(=O)c2cc4c(Cl)cn(CC)c4nn2)C3)CC1OC
• InChI: InChI=1S/C25H32ClN7O2/c1-4-27-21-13-33(14-22(21)35-3)23-9-6-15-10-16(7-8-19(15)29-23)28-25(34)20-11-17-18(26)12-32(5-2)24(17)31-30-20/h6,9,11-12,16,21-22,27H,4-5,7-8,10,13-14H2,1-3H3,(H,28,34)
• InChIKey: JMODEPGTXRXUTC-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 97.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.03
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-ethyl-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolo[2,3-c]pyridazine-3-carboxamide?

The IUPAC name of 5-chloro-7-ethyl-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolo[2,3-c]pyridazine-3-carboxamide (CID 172539818) is 5-chloro-7-ethyl-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolo[2,3-c]pyridazine-3-carboxamide.

What is the SMILES notation for 5-chloro-7-ethyl-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolo[2,3-c]pyridazine-3-carboxamide?

The canonical SMILES for 5-chloro-7-ethyl-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolo[2,3-c]pyridazine-3-carboxamide is CCNC1CN(c2ccc3c(n2)CCC(NC(=O)c2cc4c(Cl)cn(CC)c4nn2)C3)CC1OC.

What is the InChIKey of 5-chloro-7-ethyl-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolo[2,3-c]pyridazine-3-carboxamide?

The InChIKey is JMODEPGTXRXUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN7O2/c1-4-27-21-13-33(14-22(21)35-3)23-9-6-15-10-16(7-8-19(15)29-23)28-25(34)20-11-17-18(26)12-32(5-2)24(17)31-30-20/h6,9,11-12,16,21-22,27H,4-5,7-8,10,13-14H2,1-3H3,(H,28,34).

What are the key properties of 5-chloro-7-ethyl-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolo[2,3-c]pyridazine-3-carboxamide?

5-chloro-7-ethyl-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolo[2,3-c]pyridazine-3-carboxamide has a molecular weight of 498.03 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-7-ethyl-N-[2-[3-(ethylamino)-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]pyrrolo[2,3-c]pyridazine-3-carboxamide is sourced from PubChem (CID 172539818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).