6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H34N2O4 — CID 4998561

IUPAC6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(C(C)C)cc1)N(CCCN1CCOCC1)C3=O
InChIInChI=1S/C29H34N2O4/c1-18(2)21-6-8-22(9-7-21)26-25-27(32)23-16-19(3)20(4)17-24(23)35-28(25)29(33)31(26)11-5-10-30-12-14-34-15-13-30/h6-9,16-18,26H,5,10-15H2,1-4H3
InChIKeyLDVQVRMEYZYBNL-UHFFFAOYSA-N
MW474.60 g/mol
LogP4.80
Rot. Bonds6

About 6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4998561) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is 6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4998561
Molecular FormulaC29H34N2O4
Molecular Weight474.60 g/mol
Exact Mass474.25
IUPAC Name6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(C(C)C)cc1)N(CCCN1CCOCC1)C3=O
InChIInChI=1S/C29H34N2O4/c1-18(2)21-6-8-22(9-7-21)26-25-27(32)23-16-19(3)20(4)17-24(23)35-28(25)29(33)31(26)11-5-10-30-12-14-34-15-13-30/h6-9,16-18,26H,5,10-15H2,1-4H3
InChIKeyLDVQVRMEYZYBNL-UHFFFAOYSA-N
XLogP4.80
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4998561) is 6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(C(C)C)cc1)N(CCCN1CCOCC1)C3=O.
What is the InChIKey of 6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is LDVQVRMEYZYBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-18(2)21-6-8-22(9-7-21)26-25-27(32)23-16-19(3)20(4)17-24(23)35-28(25)29(33)31(26)11-5-10-30-12-14-34-15-13-30/h6-9,16-18,26H,5,10-15H2,1-4H3.
What are the key properties of 6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 474.60 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4998561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).