2-[2-(diethylamino)ethyl]-1-(3-methoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H32N2O5 — CID 664910

IUPAC2-[2-(diethylamino)ethyl]-1-(3-methoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCN(CC)CC)cc1OC
InChIInChI=1S/C27H32N2O5/c1-5-16-33-21-13-12-18(17-22(21)32-4)24-23-25(30)19-10-8-9-11-20(19)34-26(23)27(31)29(24)15-14-28(6-2)7-3/h8-13,17,24H,5-7,14-16H2,1-4H3
InChIKeyUUCRNNGOHQXVHM-UHFFFAOYSA-N
MW464.56 g/mol
LogP4.48
Rot. Bonds10

About 2-[2-(diethylamino)ethyl]-1-(3-methoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[2-(diethylamino)ethyl]-1-(3-methoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 664910) has the molecular formula C27H32N2O5 and a molecular weight of 464.56 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-1-(3-methoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-1-(3-methoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID664910
Molecular FormulaC27H32N2O5
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC Name2-[2-(diethylamino)ethyl]-1-(3-methoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCN(CC)CC)cc1OC
InChIInChI=1S/C27H32N2O5/c1-5-16-33-21-13-12-18(17-22(21)32-4)24-23-25(30)19-10-8-9-11-20(19)34-26(23)27(31)29(24)15-14-28(6-2)7-3/h8-13,17,24H,5-7,14-16H2,1-4H3
InChIKeyUUCRNNGOHQXVHM-UHFFFAOYSA-N
XLogP4.48
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(diethylamino)ethyl]-1-(3-methoxy-4-propoxyphenyl)-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
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
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
5-(3,4-Diethoxyphenyl)-3-hydroxy-4-[(5-methyl(2-furyl))carbonyl]-1-(2-morpholi n-4-ylethyl)-3-pyrrolin-2-one
CID 662129
3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-4-(5-methyl-2-furoyl)-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
CID 662182

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-1-(3-methoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[2-(diethylamino)ethyl]-1-(3-methoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 664910) is 2-[2-(diethylamino)ethyl]-1-(3-methoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-1-(3-methoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-1-(3-methoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCN(CC)CC)cc1OC.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-1-(3-methoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is UUCRNNGOHQXVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O5/c1-5-16-33-21-13-12-18(17-22(21)32-4)24-23-25(30)19-10-8-9-11-20(19)34-26(23)27(31)29(24)15-14-28(6-2)7-3/h8-13,17,24H,5-7,14-16H2,1-4H3.
What are the key properties of 2-[2-(diethylamino)ethyl]-1-(3-methoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[2-(diethylamino)ethyl]-1-(3-methoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 464.56 g/mol, XLogP of 4.48, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-1-(3-methoxy-4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 664910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).