1-(3,4-dimethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H20N2O5 — CID 3429192

IUPAC1-(3,4-dimethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccccn2)cc1OC
InChIInChI=1S/C25H20N2O5/c1-14-7-9-17-16(12-14)23(28)21-22(15-8-10-18(30-2)19(13-15)31-3)27(25(29)24(21)32-17)20-6-4-5-11-26-20/h4-13,22H,1-3H3
InChIKeyPCJOOOHVFNXOIR-UHFFFAOYSA-N
MW428.44 g/mol
LogP4.26
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3,4-dimethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3429192) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3429192
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC Name1-(3,4-dimethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccccn2)cc1OC
InChIInChI=1S/C25H20N2O5/c1-14-7-9-17-16(12-14)23(28)21-22(15-8-10-18(30-2)19(13-15)31-3)27(25(29)24(21)32-17)20-6-4-5-11-26-20/h4-13,22H,1-3H3
InChIKeyPCJOOOHVFNXOIR-UHFFFAOYSA-N
XLogP4.26
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-ethoxy-4-phenylmethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708755
1-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819288
7-methyl-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3363656
1-(3-fluorophenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4043740
1-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3300575
1-(4-butoxy-3-methoxyphenyl)-7-methyl-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819370
7-bromo-1-(3-methoxy-4-pentoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708771
1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4589577
7-chloro-1-(4-methylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3876919
(1S)-1-(3,4-dimethoxyphenyl)-7-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2010092
7-bromo-1-(3,4-dimethoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819708
7-chloro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819530

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3429192) is 1-(3,4-dimethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccccn2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is PCJOOOHVFNXOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5/c1-14-7-9-17-16(12-14)23(28)21-22(15-8-10-18(30-2)19(13-15)31-3)27(25(29)24(21)32-17)20-6-4-5-11-26-20/h4-13,22H,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3,4-dimethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 428.44 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3429192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).