7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H24ClN3O3 — CID 19134401

About 7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19134401) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 19134401
• Molecular Formula: C23H24ClN3O3
• Molecular Weight: 425.92 g/mol
• Exact Mass: 425.15
• IUPAC Name: 7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCN(CC)CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1ccccn1
• InChI: InChI=1S/C23H24ClN3O3/c1-4-26(5-2)10-11-27-20(17-8-6-7-9-25-17)19-21(28)15-13-16(24)14(3)12-18(15)30-22(19)23(27)29/h6-9,12-13,20H,4-5,10-11H2,1-3H3
• InChIKey: IXRDGRWADSLDGA-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 66.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.92
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19134401) is 7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN(CC)CCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1ccccn1.

What is the InChIKey of 7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is IXRDGRWADSLDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-4-26(5-2)10-11-27-20(17-8-6-7-9-25-17)19-21(28)15-13-16(24)14(3)12-18(15)30-22(19)23(27)29/h6-9,12-13,20H,4-5,10-11H2,1-3H3.

What are the key properties of 7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 425.92 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19134401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).