1-(3,4-dichlorophenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H23Cl2NO3 — CID 18880797

IUPAC1-(3,4-dichlorophenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H23Cl2NO3/c1-4-5-6-9-27-20(15-7-8-17(25)18(26)12-15)19-21(28)16-11-13(2)10-14(3)22(16)30-23(19)24(27)29/h7-8,10-12,20H,4-6,9H2,1-3H3
InChIKeyOFYQCRKFJUJSOL-UHFFFAOYSA-N
MW444.36 g/mol
LogP6.45
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3,4-dichlorophenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18880797) has the molecular formula C24H23Cl2NO3 and a molecular weight of 444.36 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18880797
Molecular FormulaC24H23Cl2NO3
Molecular Weight444.36 g/mol
Exact Mass443.11
IUPAC Name1-(3,4-dichlorophenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H23Cl2NO3/c1-4-5-6-9-27-20(15-7-8-17(25)18(26)12-15)19-21(28)16-11-13(2)10-14(3)22(16)30-23(19)24(27)29/h7-8,10-12,20H,4-6,9H2,1-3H3
InChIKeyOFYQCRKFJUJSOL-UHFFFAOYSA-N
XLogP6.45
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.36
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3,4-dichlorophenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

2-butyl-1-(4-chlorophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880742
2-butyl-1-(3-chlorophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880770
2-butyl-5,7-dimethyl-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880766
1-(3,4-dichlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18881208
1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880814
1-(3-methoxy-4-phenylmethoxyphenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880816
2-(3-hydroxypropyl)-5,7-dimethyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880584
1-(4-butoxyphenyl)-2-(2-methoxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880614
1-(3,4-dichlorophenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890659
1-(4-hexoxyphenyl)-2-(2-hydroxyethyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880555
1-(3,4-diethoxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880728
1-(3-ethoxy-4-hydroxyphenyl)-5,7-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880704

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3,4-dichlorophenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18880797) is 1-(3,4-dichlorophenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is OFYQCRKFJUJSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2NO3/c1-4-5-6-9-27-20(15-7-8-17(25)18(26)12-15)19-21(28)16-11-13(2)10-14(3)22(16)30-23(19)24(27)29/h7-8,10-12,20H,4-6,9H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3,4-dichlorophenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 444.36 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18880797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).