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

C24H25ClN2O4 — CID 19134388

IUPAC7-chloro-2-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCN(C)C)cc1
InChIInChI=1S/C24H25ClN2O4/c1-5-30-16-8-6-15(7-9-16)21-20-22(28)17-13-18(25)14(2)12-19(17)31-23(20)24(29)27(21)11-10-26(3)4/h6-9,12-13,21H,5,10-11H2,1-4H3
InChIKeyVHJPUJWVVOJALF-UHFFFAOYSA-N
MW440.93 g/mol
LogP4.26
Rot. Bonds6

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

7-chloro-2-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19134388) has the molecular formula C24H25ClN2O4 and a molecular weight of 440.93 g/mol. Its IUPAC name is 7-chloro-2-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19134388
Molecular FormulaC24H25ClN2O4
Molecular Weight440.93 g/mol
Exact Mass440.15
IUPAC Name7-chloro-2-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCN(C)C)cc1
InChIInChI=1S/C24H25ClN2O4/c1-5-30-16-8-6-15(7-9-16)21-20-22(28)17-13-18(25)14(2)12-19(17)31-23(20)24(29)27(21)11-10-26(3)4/h6-9,12-13,21H,5,10-11H2,1-4H3
InChIKeyVHJPUJWVVOJALF-UHFFFAOYSA-N
XLogP4.26
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41019785
7-chloro-6-methyl-1-(4-propoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882265
(1S)-7-chloro-1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417719
1-(4-butoxyphenyl)-7-chloro-2-(3-hydroxypropyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882126
1-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472429
7-chloro-1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882455
(1S)-7-chloro-2-[2-(diethylamino)ethyl]-6-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417683
7-chloro-2-(2-methoxyethyl)-1-(4-methoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882178
2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4710981
(1S)-7-chloro-1-(4-ethoxyphenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41102030
(1R)-1-(4-bromophenyl)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2212038
(1S)-2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40768048

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19134388) is 7-chloro-2-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-2-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCN(C)C)cc1.
What is the InChIKey of 7-chloro-2-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is VHJPUJWVVOJALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4/c1-5-30-16-8-6-15(7-9-16)21-20-22(28)17-13-18(25)14(2)12-19(17)31-23(20)24(29)27(21)11-10-26(3)4/h6-9,12-13,21H,5,10-11H2,1-4H3.
What are the key properties of 7-chloro-2-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 440.93 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19134388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).