7-chloro-1-(3,4-dichlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C21H16Cl3NO4 — CID 4706409

IUPAC7-chloro-1-(3,4-dichlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H16Cl3NO4/c1-28-8-2-7-25-18(11-3-5-14(23)15(24)9-11)17-19(26)13-10-12(22)4-6-16(13)29-20(17)21(25)27/h3-6,9-10,18H,2,7-8H2,1H3
InChIKeyLXTMQRQNVARZME-UHFFFAOYSA-N
MW452.72 g/mol
LogP5.33
Rot. Bonds5

About 7-chloro-1-(3,4-dichlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-(3,4-dichlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4706409) has the molecular formula C21H16Cl3NO4 and a molecular weight of 452.72 g/mol. Its IUPAC name is 7-chloro-1-(3,4-dichlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-1-(3,4-dichlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4706409
Molecular FormulaC21H16Cl3NO4
Molecular Weight452.72 g/mol
Exact Mass451.01
IUPAC Name7-chloro-1-(3,4-dichlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H16Cl3NO4/c1-28-8-2-7-25-18(11-3-5-14(23)15(24)9-11)17-19(26)13-10-12(22)4-6-16(13)29-20(17)21(25)27/h3-6,9-10,18H,2,7-8H2,1H3
InChIKeyLXTMQRQNVARZME-UHFFFAOYSA-N
XLogP5.33
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.72
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-7-chloro-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706410
7-bromo-1-(3,4-dichlorophenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706165
7-chloro-1-(4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706113
1-(3-chlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706326
(1S)-1-(3,4-dichlorophenyl)-7-fluoro-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2016622
1-(3,4-dichlorophenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4539533
7-chloro-1-(4-methylphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820222
1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705856
7-chloro-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706126
(1R)-1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066631
7-fluoro-1-(4-hydroxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706574
7-chloro-2-(2-methoxyethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706158

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(3,4-dichlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-1-(3,4-dichlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4706409) is 7-chloro-1-(3,4-dichlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-1-(3,4-dichlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-1-(3,4-dichlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 7-chloro-1-(3,4-dichlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is LXTMQRQNVARZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl3NO4/c1-28-8-2-7-25-18(11-3-5-14(23)15(24)9-11)17-19(26)13-10-12(22)4-6-16(13)29-20(17)21(25)27/h3-6,9-10,18H,2,7-8H2,1H3.
What are the key properties of 7-chloro-1-(3,4-dichlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-1-(3,4-dichlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 452.72 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(3,4-dichlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4706409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).