(1S)-2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H24N2O4 — CID 40768048

IUPAC(1S)-2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(O)cc1)N(CCN(C)C)C3=O
InChIInChI=1S/C23H24N2O4/c1-13-11-17-18(12-14(13)2)29-22-19(21(17)27)20(15-5-7-16(26)8-6-15)25(23(22)28)10-9-24(3)4/h5-8,11-12,20,26H,9-10H2,1-4H3/t20-/m0/s1
InChIKeyXIKRHKUBYHQZMR-FQEVSTJZSA-N
MW392.46 g/mol
LogP3.22
Rot. Bonds4

About (1S)-2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 40768048) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is (1S)-2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID40768048
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name(1S)-2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(O)cc1)N(CCN(C)C)C3=O
InChIInChI=1S/C23H24N2O4/c1-13-11-17-18(12-14(13)2)29-22-19(21(17)27)20(15-5-7-16(26)8-6-15)25(23(22)28)10-9-24(3)4/h5-8,11-12,20,26H,9-10H2,1-4H3/t20-/m0/s1
InChIKeyXIKRHKUBYHQZMR-FQEVSTJZSA-N
XLogP3.22
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(4-bromophenyl)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2212038
2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702739
(1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41019785
2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4710981
1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705931
(1S)-2-[3-(dimethylamino)propyl]-1-(3-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27308879
1-(4-tert-butylphenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2955734
(1R)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41019845
(1S)-2-[2-(dimethylamino)ethyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40768056
(1R)-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27308877
7-chloro-2-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134388
(1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(3-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417755

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 40768048) is (1S)-2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(O)cc1)N(CCN(C)C)C3=O.
What is the InChIKey of (1S)-2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XIKRHKUBYHQZMR-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-13-11-17-18(12-14(13)2)29-22-19(21(17)27)20(15-5-7-16(26)8-6-15)25(23(22)28)10-9-24(3)4/h5-8,11-12,20,26H,9-10H2,1-4H3/t20-/m0/s1.
What are the key properties of (1S)-2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 392.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[2-(dimethylamino)ethyl]-1-(4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 40768048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).