2-(3-chlorophenyl)-1-(3,4-diethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H26ClNO5 — CID 18857064

IUPAC2-(3-chlorophenyl)-1-(3,4-diethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cccc(Cl)c2)cc1OCC
InChIInChI=1S/C29H26ClNO5/c1-5-34-22-11-10-18(14-24(22)35-6-2)26-25-27(32)21-12-16(3)17(4)13-23(21)36-28(25)29(33)31(26)20-9-7-8-19(30)15-20/h7-15,26H,5-6H2,1-4H3
InChIKeyOODDXRLWXRNYCY-UHFFFAOYSA-N
MW503.98 g/mol
LogP6.61
Rot. Bonds6

About 2-(3-chlorophenyl)-1-(3,4-diethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(3-chlorophenyl)-1-(3,4-diethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18857064) has the molecular formula C29H26ClNO5 and a molecular weight of 503.98 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(3,4-diethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(3,4-diethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18857064
Molecular FormulaC29H26ClNO5
Molecular Weight503.98 g/mol
Exact Mass503.15
IUPAC Name2-(3-chlorophenyl)-1-(3,4-diethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cccc(Cl)c2)cc1OCC
InChIInChI=1S/C29H26ClNO5/c1-5-34-22-11-10-18(14-24(22)35-6-2)26-25-27(32)21-12-16(3)17(4)13-23(21)36-28(25)29(33)31(26)20-9-7-8-19(30)15-20/h7-15,26H,5-6H2,1-4H3
InChIKeyOODDXRLWXRNYCY-UHFFFAOYSA-N
XLogP6.61
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.98
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-1-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856512
1-(3,4-diethoxyphenyl)-6,7-dimethyl-2-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857059
1-(4-butoxy-3-ethoxyphenyl)-6,7-dimethyl-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857130
2-(3-chlorophenyl)-1-(3-ethoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852726
1-(3-ethoxy-4-pentoxyphenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857165
7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855150
7-chloro-2-(3,4-dimethylphenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853756
7-bromo-2-(3-chlorophenyl)-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855114
2-(3-chlorophenyl)-6,7-dimethyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857028
1-(3-chlorophenyl)-2-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856916
1-(3-bromophenyl)-2-(3-chlorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856387
2-(3-bromophenyl)-1-(4-butoxy-3-ethoxyphenyl)-7-chloro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853783

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(3,4-diethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(3-chlorophenyl)-1-(3,4-diethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18857064) is 2-(3-chlorophenyl)-1-(3,4-diethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(3,4-diethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(3-chlorophenyl)-1-(3,4-diethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cccc(Cl)c2)cc1OCC.
What is the InChIKey of 2-(3-chlorophenyl)-1-(3,4-diethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is OODDXRLWXRNYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClNO5/c1-5-34-22-11-10-18(14-24(22)35-6-2)26-25-27(32)21-12-16(3)17(4)13-23(21)36-28(25)29(33)31(26)20-9-7-8-19(30)15-20/h7-15,26H,5-6H2,1-4H3.
What are the key properties of 2-(3-chlorophenyl)-1-(3,4-diethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(3-chlorophenyl)-1-(3,4-diethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 503.98 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(3,4-diethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18857064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).