2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H28N2O5 — CID 4912723

IUPAC2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(C)C)C3c1cccc(OC(C)C)c1
InChIInChI=1S/C25H28N2O5/c1-15(2)31-18-8-6-7-16(13-18)22-21-23(28)19-10-9-17(30-5)14-20(19)32-24(21)25(29)27(22)12-11-26(3)4/h6-10,13-15,22H,11-12H2,1-5H3
InChIKeyHCLYJSIJYUFXFQ-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.70
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4912723) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4912723
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(C)C)C3c1cccc(OC(C)C)c1
InChIInChI=1S/C25H28N2O5/c1-15(2)31-18-8-6-7-16(13-18)22-21-23(28)19-10-9-17(30-5)14-20(19)32-24(21)25(29)27(22)12-11-26(3)4/h6-10,13-15,22H,11-12H2,1-5H3
InChIKeyHCLYJSIJYUFXFQ-UHFFFAOYSA-N
XLogP3.70
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7644411
(1R)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(3-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417755
(1R)-2-[2-(dimethylamino)ethyl]-6-methoxy-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7645644
(1S)-2-[2-(dimethylamino)ethyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40768056
2-[(1R)-6-methoxy-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium
CID 7644407
2-[3-(dimethylamino)propyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4894013
2-[2-(dimethylamino)ethyl]-6-ethoxy-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472450
(1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417913
1-(3-butoxyphenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702755
(1S)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2242541
(1R)-2-[2-(diethylamino)ethyl]-6-methoxy-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417897
2-[2-(diethylamino)ethyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472250

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4912723) is 2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(C)C)C3c1cccc(OC(C)C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is HCLYJSIJYUFXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-15(2)31-18-8-6-7-16(13-18)22-21-23(28)19-10-9-17(30-5)14-20(19)32-24(21)25(29)27(22)12-11-26(3)4/h6-10,13-15,22H,11-12H2,1-5H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 436.51 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4912723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).