7-chloro-2-(2-methoxyethyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H20ClNO5 — CID 18882178

IUPAC7-chloro-2-(2-methoxyethyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1ccc(OC)cc1
InChIInChI=1S/C22H20ClNO5/c1-12-10-17-15(11-16(12)23)20(25)18-19(13-4-6-14(28-3)7-5-13)24(8-9-27-2)22(26)21(18)29-17/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyNORXFXDOXKUJIK-UHFFFAOYSA-N
MW413.86 g/mol
LogP3.96
Rot. Bonds5

About 7-chloro-2-(2-methoxyethyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-2-(2-methoxyethyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18882178) has the molecular formula C22H20ClNO5 and a molecular weight of 413.86 g/mol. Its IUPAC name is 7-chloro-2-(2-methoxyethyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-(2-methoxyethyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18882178
Molecular FormulaC22H20ClNO5
Molecular Weight413.86 g/mol
Exact Mass413.10
IUPAC Name7-chloro-2-(2-methoxyethyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1ccc(OC)cc1
InChIInChI=1S/C22H20ClNO5/c1-12-10-17-15(11-16(12)23)20(25)18-19(13-4-6-14(28-3)7-5-13)24(8-9-27-2)22(26)21(18)29-17/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyNORXFXDOXKUJIK-UHFFFAOYSA-N
XLogP3.96
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-2-(2-methoxyethyl)-6-methyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134602
(1S)-1-(4-chlorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2205544
7-chloro-1-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882688
7-chloro-6-methyl-1-(4-propoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882265
1-(4-butoxyphenyl)-7-chloro-2-(3-hydroxypropyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882126
7-chloro-2-[(4-methoxyphenyl)methyl]-6-methyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882705
7-chloro-2-(2-methoxyethyl)-6-methyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134600
7-chloro-2-(2-methoxyethyl)-6-methyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882185
2-(2-methoxyethyl)-6,7-dimethyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23471704
(1S)-7-chloro-1-(4-methoxyphenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2038804
2-(2-methoxyethyl)-1-(4-methoxyphenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880621
7-chloro-1-(3,4-dimethoxyphenyl)-6-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882259

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-methoxyethyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-(2-methoxyethyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18882178) is 7-chloro-2-(2-methoxyethyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-2-(2-methoxyethyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-(2-methoxyethyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2C1c1ccc(OC)cc1.
What is the InChIKey of 7-chloro-2-(2-methoxyethyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NORXFXDOXKUJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO5/c1-12-10-17-15(11-16(12)23)20(25)18-19(13-4-6-14(28-3)7-5-13)24(8-9-27-2)22(26)21(18)29-17/h4-7,10-11,19H,8-9H2,1-3H3.
What are the key properties of 7-chloro-2-(2-methoxyethyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-(2-methoxyethyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 413.86 g/mol, XLogP of 3.96, 5 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-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18882178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).