(1S)-1-(4-ethoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H22N2O4 — CID 40774186

IUPAC(1S)-1-(4-ethoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccn2)cc1
InChIInChI=1S/C26H22N2O4/c1-4-31-18-10-8-17(9-11-18)23-22-24(29)19-13-15(2)16(3)14-20(19)32-25(22)26(30)28(23)21-7-5-6-12-27-21/h5-14,23H,4H2,1-3H3/t23-/m0/s1
InChIKeyKPUCNBGROJABCQ-QHCPKHFHSA-N
MW426.47 g/mol
LogP4.95
Rot. Bonds4

About (1S)-1-(4-ethoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-1-(4-ethoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 40774186) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is (1S)-1-(4-ethoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-1-(4-ethoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID40774186
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name(1S)-1-(4-ethoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccn2)cc1
InChIInChI=1S/C26H22N2O4/c1-4-31-18-10-8-17(9-11-18)23-22-24(29)19-13-15(2)16(3)14-20(19)32-25(22)26(30)28(23)21-7-5-6-12-27-21/h5-14,23H,4H2,1-3H3/t23-/m0/s1
InChIKeyKPUCNBGROJABCQ-QHCPKHFHSA-N
XLogP4.95
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dimethyl-1-(4-phenylmethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708830
1-(4-ethylphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708827
7-bromo-1-(4-ethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708772
2-(3,4-dimethylphenyl)-1-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856510
1-(3-methoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3548049
1-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856508
2-(3-chlorophenyl)-1-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856512
2-(4-ethoxyphenyl)-6,7-dimethyl-1-(4-methylsulfanylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857282
1-(4-bromophenyl)-2-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856460
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4707946
7-bromo-1-(4-butoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708781
6,7-dimethyl-2-phenyl-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856685

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-ethoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-1-(4-ethoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 40774186) is (1S)-1-(4-ethoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-1-(4-ethoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-1-(4-ethoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccn2)cc1.
What is the InChIKey of (1S)-1-(4-ethoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KPUCNBGROJABCQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-4-31-18-10-8-17(9-11-18)23-22-24(29)19-13-15(2)16(3)14-20(19)32-25(22)26(30)28(23)21-7-5-6-12-27-21/h5-14,23H,4H2,1-3H3/t23-/m0/s1.
What are the key properties of (1S)-1-(4-ethoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-1-(4-ethoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 426.47 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-ethoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 40774186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).