(1S)-2-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H30N2O4 — CID 42066421

About (1S)-2-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-2-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 42066421) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is (1S)-2-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: (1S)-2-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 42066421
• Molecular Formula: C26H30N2O4
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.22
• IUPAC Name: (1S)-2-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCN(CC)CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1cccc(OC)c1
• InChI: InChI=1S/C26H30N2O4/c1-5-27(6-2)13-8-14-28-23(18-9-7-10-19(16-18)31-4)22-24(29)20-15-17(3)11-12-21(20)32-25(22)26(28)30/h7,9-12,15-16,23H,5-6,8,13-14H2,1-4H3/t23-/m0/s1
• InChIKey: MJDQLWAGUHJZLD-QHCPKHFHSA-N
• XLogP: 4.39
• TPSA: 62.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of (1S)-2-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 42066421) is (1S)-2-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for (1S)-2-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for (1S)-2-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN(CC)CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1cccc(OC)c1.

What is the InChIKey of (1S)-2-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is MJDQLWAGUHJZLD-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-5-27(6-2)13-8-14-28-23(18-9-7-10-19(16-18)31-4)22-24(29)20-15-17(3)11-12-21(20)32-25(22)26(28)30/h7,9-12,15-16,23H,5-6,8,13-14H2,1-4H3/t23-/m0/s1.

What are the key properties of (1S)-2-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

(1S)-2-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 434.54 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-2-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 42066421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).