7-methyl-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H25N3O6 — CID 2954559

IUPAC7-methyl-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1ccc([N+](=O)[O-])cc1)N(CCCN1CCOCC1)C3=O
InChIInChI=1S/C25H25N3O6/c1-16-3-8-20-19(15-16)23(29)21-22(17-4-6-18(7-5-17)28(31)32)27(25(30)24(21)34-20)10-2-9-26-11-13-33-14-12-26/h3-8,15,22H,2,9-14H2,1H3
InChIKeySQNXREXJHGJRQX-UHFFFAOYSA-N
MW463.49 g/mol
LogP3.28
Rot. Bonds6

About 7-methyl-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-methyl-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2954559) has the molecular formula C25H25N3O6 and a molecular weight of 463.49 g/mol. Its IUPAC name is 7-methyl-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-methyl-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2954559
Molecular FormulaC25H25N3O6
Molecular Weight463.49 g/mol
Exact Mass463.17
IUPAC Name7-methyl-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1ccc([N+](=O)[O-])cc1)N(CCCN1CCOCC1)C3=O
InChIInChI=1S/C25H25N3O6/c1-16-3-8-20-19(15-16)23(29)21-22(17-4-6-18(7-5-17)28(31)32)27(25(30)24(21)34-20)10-2-9-26-11-13-33-14-12-26/h3-8,15,22H,2,9-14H2,1H3
InChIKeySQNXREXJHGJRQX-UHFFFAOYSA-N
XLogP3.28
TPSA106.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-methyl-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2954559) is 7-methyl-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-methyl-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-methyl-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc([N+](=O)[O-])cc1)N(CCCN1CCOCC1)C3=O.
What is the InChIKey of 7-methyl-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is SQNXREXJHGJRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6/c1-16-3-8-20-19(15-16)23(29)21-22(17-4-6-18(7-5-17)28(31)32)27(25(30)24(21)34-20)10-2-9-26-11-13-33-14-12-26/h3-8,15,22H,2,9-14H2,1H3.
What are the key properties of 7-methyl-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-methyl-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 463.49 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2954559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).