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

C23H25N3O4 — CID 23472250

IUPAC2-[2-(diethylamino)ethyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2C1c1cccnc1
InChIInChI=1S/C23H25N3O4/c1-4-25(5-2)11-12-26-20(15-7-6-10-24-14-15)19-21(27)17-9-8-16(29-3)13-18(17)30-22(19)23(26)28/h6-10,13-14,20H,4-5,11-12H2,1-3H3
InChIKeyVQUBSISKQJDCFB-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.08
Rot. Bonds7

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

2-[2-(diethylamino)ethyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23472250) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID23472250
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name2-[2-(diethylamino)ethyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2C1c1cccnc1
InChIInChI=1S/C23H25N3O4/c1-4-25(5-2)11-12-26-20(15-7-6-10-24-14-15)19-21(27)17-9-8-16(29-3)13-18(17)30-22(19)23(26)28/h6-10,13-14,20H,4-5,11-12H2,1-3H3
InChIKeyVQUBSISKQJDCFB-UHFFFAOYSA-N
XLogP3.08
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(diethylamino)ethyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

2-[3-(dimethylamino)propyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4894013
(1S)-2-[2-(diethylamino)ethyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2022424
(1R)-1-(3-chlorophenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417913
(1S)-2-[2-(diethylamino)ethyl]-6,7-dimethyl-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41019804
(1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417911
(1R)-2-[2-(diethylamino)ethyl]-6-methoxy-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417897
methyl 4-[2-[2-(diethylamino)ethyl]-6-methoxy-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 23472257
1-(3,4-diethoxyphenyl)-2-[2-(diethylamino)ethyl]-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472273
(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-methoxy-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7645644
2-[2-(diethylamino)ethyl]-7-ethyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472840
7-bromo-2-[2-(diethylamino)ethyl]-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3356486

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[2-(diethylamino)ethyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23472250) is 2-[2-(diethylamino)ethyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN(CC)CCN1C(=O)c2oc3cc(OC)ccc3c(=O)c2C1c1cccnc1.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is VQUBSISKQJDCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-4-25(5-2)11-12-26-20(15-7-6-10-24-14-15)19-21(27)17-9-8-16(29-3)13-18(17)30-22(19)23(26)28/h6-10,13-14,20H,4-5,11-12H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[2-(diethylamino)ethyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 407.47 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-6-methoxy-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23472250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).