1-(3,4-diethoxyphenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H34N2O6 — CID 23472273

IUPAC1-(3,4-diethoxyphenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN(CC)CC)cc1OCC
InChIInChI=1S/C28H34N2O6/c1-6-29(7-2)14-15-30-25(18-10-13-21(34-8-3)23(16-18)35-9-4)24-26(31)20-12-11-19(33-5)17-22(20)36-27(24)28(30)32/h10-13,16-17,25H,6-9,14-15H2,1-5H3
InChIKeyOIALQRWUQXRAHF-UHFFFAOYSA-N
MW494.59 g/mol
LogP4.49
Rot. Bonds11

About 1-(3,4-diethoxyphenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3,4-diethoxyphenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23472273) has the molecular formula C28H34N2O6 and a molecular weight of 494.59 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID23472273
Molecular FormulaC28H34N2O6
Molecular Weight494.59 g/mol
Exact Mass494.24
IUPAC Name1-(3,4-diethoxyphenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN(CC)CC)cc1OCC
InChIInChI=1S/C28H34N2O6/c1-6-29(7-2)14-15-30-25(18-10-13-21(34-8-3)23(16-18)35-9-4)24-26(31)20-12-11-19(33-5)17-22(20)36-27(24)28(30)32/h10-13,16-17,25H,6-9,14-15H2,1-5H3
InChIKeyOIALQRWUQXRAHF-UHFFFAOYSA-N
XLogP4.49
TPSA81.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472501
(1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417911
(1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417913
(1R)-2-[2-(diethylamino)ethyl]-6-methoxy-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417897
7-bromo-2-[2-(diethylamino)ethyl]-1-(4-ethoxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705375
2-[3-(diethylamino)propyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472606
1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472480
methyl 4-[2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 23472257
2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472474
2-[2-(diethylamino)ethyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472250
2-[2-(diethylamino)ethyl]-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702720
(1R)-2-[3-(diethylamino)propyl]-1-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066435

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3,4-diethoxyphenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23472273) is 1-(3,4-diethoxyphenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN(CC)CC)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is OIALQRWUQXRAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O6/c1-6-29(7-2)14-15-30-25(18-10-13-21(34-8-3)23(16-18)35-9-4)24-26(31)20-12-11-19(33-5)17-22(20)36-27(24)28(30)32/h10-13,16-17,25H,6-9,14-15H2,1-5H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3,4-diethoxyphenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 494.59 g/mol, XLogP of 4.49, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23472273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).