2-[(1R)-6-methoxy-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium

C22H23N2O4+ — CID 7645643

IUPAC2-[(1R)-6-methoxy-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium
SMILESCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+](C)C)[C@@H]3c1ccccc1
InChIInChI=1S/C22H22N2O4/c1-23(2)11-12-24-19(14-7-5-4-6-8-14)18-20(25)16-10-9-15(27-3)13-17(16)28-21(18)22(24)26/h4-10,13,19H,11-12H2,1-3H3/p+1/t19-/m1/s1
InChIKeyBQPBWDFVHXCMDY-LJQANCHMSA-O
MW379.44 g/mol
LogP1.49
Rot. Bonds5

About 2-[(1R)-6-methoxy-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium

2-[(1R)-6-methoxy-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium (PubChem CID 7645643) has the molecular formula C22H23N2O4+ and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-[(1R)-6-methoxy-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[(1R)-6-methoxy-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium
PubChem CID7645643
Molecular FormulaC22H23N2O4+
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name2-[(1R)-6-methoxy-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium
SMILESCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+](C)C)[C@@H]3c1ccccc1
InChIInChI=1S/C22H22N2O4/c1-23(2)11-12-24-19(14-7-5-4-6-8-14)18-20(25)16-10-9-15(27-3)13-17(16)28-21(18)22(24)26/h4-10,13,19H,11-12H2,1-3H3/p+1/t19-/m1/s1
InChIKeyBQPBWDFVHXCMDY-LJQANCHMSA-O
XLogP1.49
TPSA64.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1R)-6-methoxy-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium with MolForge

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Related Compounds

2-[(1R)-6-methoxy-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium
CID 7644407
(1R)-2-[2-(dimethylamino)ethyl]-6-methoxy-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7645644
3-[(1R)-1-(3-fluorophenyl)-6-methoxy-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 7641265
3-[(1R)-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 2005998
2-[(1R)-7-bromo-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium
CID 2242750
(1S)-2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7644411
3-[(1R)-1-(3-methoxyphenyl)-6,7-dimethyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
CID 2143924
(1R)-1-(4-bromophenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835689
1-(4-methoxyphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3264262
(1S)-6-methoxy-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835595
(1S)-2-[2-(diethylamino)ethyl]-1-(4-fluorophenyl)-6-methoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417911
2-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5136139

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-6-methoxy-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium?
The IUPAC name of 2-[(1R)-6-methoxy-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium (CID 7645643) is 2-[(1R)-6-methoxy-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium.
What is the SMILES notation for 2-[(1R)-6-methoxy-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium?
The canonical SMILES for 2-[(1R)-6-methoxy-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium is COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CC[NH+](C)C)[C@@H]3c1ccccc1.
What is the InChIKey of 2-[(1R)-6-methoxy-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium?
The InChIKey is BQPBWDFVHXCMDY-LJQANCHMSA-O. The full InChI is InChI=1S/C22H22N2O4/c1-23(2)11-12-24-19(14-7-5-4-6-8-14)18-20(25)16-10-9-15(27-3)13-17(16)28-21(18)22(24)26/h4-10,13,19H,11-12H2,1-3H3/p+1/t19-/m1/s1.
What are the key properties of 2-[(1R)-6-methoxy-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium?
2-[(1R)-6-methoxy-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium has a molecular weight of 379.44 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-6-methoxy-3,9-dioxo-1-phenyl-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium is sourced from PubChem (CID 7645643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).