(1R)-7-chloro-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H21Cl2NO5 — CID 27316067

IUPAC(1R)-7-chloro-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CCN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C27H21Cl2NO5/c1-33-21-8-6-15(12-22(21)34-2)10-11-30-24(16-4-3-5-17(28)13-16)23-25(31)19-14-18(29)7-9-20(19)35-26(23)27(30)32/h3-9,12-14,24H,10-11H2,1-2H3/t24-/m1/s1
InChIKeyVFPRTPKPDCLEPO-XMMPIXPASA-N
MW510.37 g/mol
LogP5.90
Rot. Bonds6

About (1R)-7-chloro-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-7-chloro-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 27316067) has the molecular formula C27H21Cl2NO5 and a molecular weight of 510.37 g/mol. Its IUPAC name is (1R)-7-chloro-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-7-chloro-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID27316067
Molecular FormulaC27H21Cl2NO5
Molecular Weight510.37 g/mol
Exact Mass509.08
IUPAC Name(1R)-7-chloro-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(CCN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C27H21Cl2NO5/c1-33-21-8-6-15(12-22(21)34-2)10-11-30-24(16-4-3-5-17(28)13-16)23-25(31)19-14-18(29)7-9-20(19)35-26(23)27(30)32/h3-9,12-14,24H,10-11H2,1-2H3/t24-/m1/s1
InChIKeyVFPRTPKPDCLEPO-XMMPIXPASA-N
XLogP5.90
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.37
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R)-7-chloro-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-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

(1R)-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2009071
(1S)-7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2032892
7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4046348
7-chloro-1-(3-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3494353
(1S)-7-chloro-1-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2014395
7-chloro-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-hydroxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4972905
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2963589
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820012
7-chloro-1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3501356
(1S)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1034433
(1R)-7-chloro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1423939
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820578

Frequently Asked Questions

What is the IUPAC name of (1R)-7-chloro-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-7-chloro-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 27316067) is (1R)-7-chloro-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-7-chloro-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-7-chloro-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(CCN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)cc1OC.
What is the InChIKey of (1R)-7-chloro-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is VFPRTPKPDCLEPO-XMMPIXPASA-N. The full InChI is InChI=1S/C27H21Cl2NO5/c1-33-21-8-6-15(12-22(21)34-2)10-11-30-24(16-4-3-5-17(28)13-16)23-25(31)19-14-18(29)7-9-20(19)35-26(23)27(30)32/h3-9,12-14,24H,10-11H2,1-2H3/t24-/m1/s1.
What are the key properties of (1R)-7-chloro-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-7-chloro-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 510.37 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-chloro-1-(3-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 27316067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).