1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H26N2O6 — CID 664682

IUPAC1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCN2CCOCC2)cc1OC
InChIInChI=1S/C25H26N2O6/c1-30-19-8-7-16(15-20(19)31-2)22-21-23(28)17-5-3-4-6-18(17)33-24(21)25(29)27(22)10-9-26-11-13-32-14-12-26/h3-8,15,22H,9-14H2,1-2H3
InChIKeyNFPVHBQOTYJDCW-UHFFFAOYSA-N
MW450.49 g/mol
LogP2.69
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 664682) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID664682
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCN2CCOCC2)cc1OC
InChIInChI=1S/C25H26N2O6/c1-30-19-8-7-16(15-20(19)31-2)22-21-23(28)17-5-3-4-6-18(17)33-24(21)25(29)27(22)10-9-26-11-13-32-14-12-26/h3-8,15,22H,9-14H2,1-2H3
InChIKeyNFPVHBQOTYJDCW-UHFFFAOYSA-N
XLogP2.69
TPSA81.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

1-[4-(2,3-Dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 1072048
N-(1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl)-7-fluoro-4-oxo-4H-chromene-2-carboxamide
CID 11539096
2-[4-[3,9-dioxo-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 663437
2-[3-(Dimethylamino)propyl]-1-(4-hydroxyphenyl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 15991372
[1-(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl](2-methoxyphenyl)methanone
CID 16190083
2-(4-acetylphenoxy)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]ethanone
CID 16317493
1-(3,4-Dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-7-chlorochromeno[2,3-c]3-p yrroline-3,9-dione
CID 4705986
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-oxo-4H-chromene-2-carboxamide
CID 11328029
MCHr1 antagonist 2
CID 11464405
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-6,7-difluoro-4-oxo-4H-chromene-2-carboxamide
CID 11583049
4-{(1S)-2-[(2R)-4-Benzoyl-2-methyl-piperazin-1-yl]-1-methyl-2-oxo-ethoxy}-3-methoxy-N-methyl-benzamide
CID 11719112
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-6,7,8-trifluoro-4-oxo-4H-chromene-2-carboxamide
CID 11974228

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 664682) is 1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCN2CCOCC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is NFPVHBQOTYJDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6/c1-30-19-8-7-16(15-20(19)31-2)22-21-23(28)17-5-3-4-6-18(17)33-24(21)25(29)27(22)10-9-26-11-13-32-14-12-26/h3-8,15,22H,9-14H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 450.49 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 664682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).