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

C23H20ClNO5 — CID 4706126

IUPAC7-chloro-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCOC)cc1
InChIInChI=1S/C23H20ClNO5/c1-3-11-29-16-7-4-14(5-8-16)20-19-21(26)17-13-15(24)6-9-18(17)30-22(19)23(27)25(20)10-12-28-2/h3-9,13,20H,1,10-12H2,2H3
InChIKeyKERGMEXDPQLEQC-UHFFFAOYSA-N
MW425.87 g/mol
LogP4.20
Rot. Bonds7

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

7-chloro-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4706126) has the molecular formula C23H20ClNO5 and a molecular weight of 425.87 g/mol. Its IUPAC name is 7-chloro-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4706126
Molecular FormulaC23H20ClNO5
Molecular Weight425.87 g/mol
Exact Mass425.10
IUPAC Name7-chloro-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCOC)cc1
InChIInChI=1S/C23H20ClNO5/c1-3-11-29-16-7-4-14(5-8-16)20-19-21(26)17-13-15(24)6-9-18(17)30-22(19)23(27)25(20)10-12-28-2/h3-9,13,20H,1,10-12H2,2H3
InChIKeyKERGMEXDPQLEQC-UHFFFAOYSA-N
XLogP4.20
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.87
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-(2-methoxyethyl)-7-methyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40851029
7-bromo-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706181
7-chloro-2-(2-hydroxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3497869
3-[7-chloro-3,9-dioxo-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 5142034
7-chloro-1-(4-hydroxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706113
1-(4-bromophenyl)-7-chloro-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706410
(1S)-1-(4-chlorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2205544
7-bromo-1-(4-ethoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706169
7-chloro-1-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3501356
7-chloro-1-(3,4-dichlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706409
7-chloro-2-(2-methoxyethyl)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706158
7-chloro-2-(4-methyl-2-pyridinyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819526

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4706126) is 7-chloro-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCOC)cc1.
What is the InChIKey of 7-chloro-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KERGMEXDPQLEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO5/c1-3-11-29-16-7-4-14(5-8-16)20-19-21(26)17-13-15(24)6-9-18(17)30-22(19)23(27)25(20)10-12-28-2/h3-9,13,20H,1,10-12H2,2H3.
What are the key properties of 7-chloro-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 425.87 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-methoxyethyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4706126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).