(1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H25ClN2O4 — CID 41417913

IUPAC(1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C24H25ClN2O4/c1-4-26(5-2)11-12-27-21(15-7-6-8-16(25)13-15)20-22(28)18-10-9-17(30-3)14-19(18)31-23(20)24(27)29/h6-10,13-14,21H,4-5,11-12H2,1-3H3/t21-/m1/s1
InChIKeyWDAADANJQZIPLP-OAQYLSRUSA-N
MW440.93 g/mol
LogP4.34
Rot. Bonds7

About (1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 41417913) has the molecular formula C24H25ClN2O4 and a molecular weight of 440.93 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID41417913
Molecular FormulaC24H25ClN2O4
Molecular Weight440.93 g/mol
Exact Mass440.15
IUPAC Name(1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C24H25ClN2O4/c1-4-26(5-2)11-12-27-21(15-7-6-8-16(25)13-15)20-22(28)18-10-9-17(30-3)14-19(18)31-23(20)24(27)29/h6-10,13-14,21H,4-5,11-12H2,1-3H3/t21-/m1/s1
InChIKeyWDAADANJQZIPLP-OAQYLSRUSA-N
XLogP4.34
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-[2-(diethylamino)ethyl]-6-methoxy-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417897
(1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417911
2-[2-(diethylamino)ethyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472250
1-(3,4-diethoxyphenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472273
(1S)-2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7644411
methyl 4-[2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 23472257
2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472474
2-[2-(diethylamino)ethyl]-7-ethyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472840
7-bromo-2-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3356486
(1R)-2-[2-(dimethylamino)ethyl]-6-methoxy-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7645644
2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472501
2-[(1R)-6-methoxy-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium
CID 7644407

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 41417913) is (1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2[C@H]1c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is WDAADANJQZIPLP-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25ClN2O4/c1-4-26(5-2)11-12-27-21(15-7-6-8-16(25)13-15)20-22(28)18-10-9-17(30-3)14-19(18)31-23(20)24(27)29/h6-10,13-14,21H,4-5,11-12H2,1-3H3/t21-/m1/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 440.93 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 41417913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).