1-(3,4-dichlorophenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H19Cl2NO3 — CID 18890659

IUPAC1-(3,4-dichlorophenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H19Cl2NO3/c1-4-7-25-19(13-5-6-14(23)15(24)10-13)18-20(26)17-12(3)8-11(2)9-16(17)28-21(18)22(25)27/h5-6,8-10,19H,4,7H2,1-3H3
InChIKeyMNBAWCFGVFGUOH-UHFFFAOYSA-N
MW416.30 g/mol
LogP5.67
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3,4-dichlorophenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18890659) has the molecular formula C22H19Cl2NO3 and a molecular weight of 416.30 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18890659
Molecular FormulaC22H19Cl2NO3
Molecular Weight416.30 g/mol
Exact Mass415.07
IUPAC Name1-(3,4-dichlorophenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H19Cl2NO3/c1-4-7-25-19(13-5-6-14(23)15(24)10-13)18-20(26)17-12(3)8-11(2)9-16(17)28-21(18)22(25)27/h5-6,8-10,19H,4,7H2,1-3H3
InChIKeyMNBAWCFGVFGUOH-UHFFFAOYSA-N
XLogP5.67
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.30
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dichlorophenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-6,8-dimethyl-1-(4-methylphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40638894
1-(3,4-dimethoxyphenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890764
2-butyl-1-(3-chlorophenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108817
6,8-dimethyl-1-(4-phenylmethoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890913
1-[3-methoxy-4-(2-methylpropoxy)phenyl]-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109178
1-(3,4-dichlorophenyl)-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880797
1-(4-butoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890875
2-(2-methoxyethyl)-6,8-dimethyl-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109109
1-(3,4-dimethoxyphenyl)-2-(2-methoxyethyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890762
1-(3,4-diethoxyphenyl)-2-(3-hydroxypropyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108964
2-butyl-1-(3-ethoxy-4-pentoxyphenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19109058
(1S)-2-(2-hydroxyethyl)-6,8-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40638926

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3,4-dichlorophenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18890659) is 1-(3,4-dichlorophenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3,4-dichlorophenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCN1C(=O)c2oc3cc(C)cc(C)c3c(=O)c2C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is MNBAWCFGVFGUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2NO3/c1-4-7-25-19(13-5-6-14(23)15(24)10-13)18-20(26)17-12(3)8-11(2)9-16(17)28-21(18)22(25)27/h5-6,8-10,19H,4,7H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3,4-dichlorophenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 416.30 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-6,8-dimethyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18890659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).