7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H26ClNO6 — CID 18810167

IUPAC7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C30H26ClNO6/c1-4-14-37-24-12-8-19(15-25(24)36-5-2)27-26-28(33)22-16-20(31)9-13-23(22)38-29(26)30(34)32(27)17-18-6-10-21(35-3)11-7-18/h4,6-13,15-16,27H,1,5,14,17H2,2-3H3
InChIKeyPFLWJVZAJNWFMQ-UHFFFAOYSA-N
MW531.99 g/mol
LogP6.16
Rot. Bonds9

About 7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18810167) has the molecular formula C30H26ClNO6 and a molecular weight of 531.99 g/mol. Its IUPAC name is 7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18810167
Molecular FormulaC30H26ClNO6
Molecular Weight531.99 g/mol
Exact Mass531.14
IUPAC Name7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C30H26ClNO6/c1-4-14-37-24-12-8-19(15-25(24)36-5-2)27-26-28(33)22-16-20(31)9-13-23(22)38-29(26)30(34)32(27)17-18-6-10-21(35-3)11-7-18/h4,6-13,15-16,27H,1,5,14,17H2,2-3H3
InChIKeyPFLWJVZAJNWFMQ-UHFFFAOYSA-N
XLogP6.16
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.99
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxy-4-prop-2-enoxyphenyl)-7-fluoro-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810402
7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810020
7-bromo-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810665
7-chloro-1-(4-hexoxy-3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810214
1-(4-butoxy-3-ethoxyphenyl)-7-chloro-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810178
1-(4-ethoxy-3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809567
7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705178
1-(4-butoxy-3-ethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809683
7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853734
7-bromo-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810672
(1R)-7-chloro-1-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2144291
7-chloro-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882725

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18810167) is 7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc(OC)cc2)cc1OCC.
What is the InChIKey of 7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is PFLWJVZAJNWFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClNO6/c1-4-14-37-24-12-8-19(15-25(24)36-5-2)27-26-28(33)22-16-20(31)9-13-23(22)38-29(26)30(34)32(27)17-18-6-10-21(35-3)11-7-18/h4,6-13,15-16,27H,1,5,14,17H2,2-3H3.
What are the key properties of 7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 531.99 g/mol, XLogP of 6.16, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18810167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).