7-methyl-2-[(4-methylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H27NO6 — CID 18809799

IUPAC7-methyl-2-[(4-methylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C29H27NO6/c1-16-6-9-18(10-7-16)15-30-25(19-13-22(33-3)27(35-5)23(14-19)34-4)24-26(31)20-12-17(2)8-11-21(20)36-28(24)29(30)32/h6-14,25H,15H2,1-5H3
InChIKeyUXJDXJWLCPWYGH-UHFFFAOYSA-N
MW485.54 g/mol
LogP5.18
Rot. Bonds6

About 7-methyl-2-[(4-methylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-methyl-2-[(4-methylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18809799) has the molecular formula C29H27NO6 and a molecular weight of 485.54 g/mol. Its IUPAC name is 7-methyl-2-[(4-methylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-methyl-2-[(4-methylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18809799
Molecular FormulaC29H27NO6
Molecular Weight485.54 g/mol
Exact Mass485.18
IUPAC Name7-methyl-2-[(4-methylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C29H27NO6/c1-16-6-9-18(10-7-16)15-30-25(19-13-22(33-3)27(35-5)23(14-19)34-4)24-26(31)20-12-17(2)8-11-21(20)36-28(24)29(30)32/h6-14,25H,15H2,1-5H3
InChIKeyUXJDXJWLCPWYGH-UHFFFAOYSA-N
XLogP5.18
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.54
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-7-methyl-2-propyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42414931
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809849
2-benzyl-7-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3844577
1-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809758
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-fluoro-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810343
(1S)-1-(3-ethoxy-4-hydroxyphenyl)-7-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2144062
(1S)-2-(pyridin-4-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316976
7-methyl-2-[(4-methylphenyl)methyl]-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809806
2-[(4-fluorophenyl)methyl]-6,8-dimethyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18890835
(1R)-1-(3,4-dimethoxyphenyl)-7-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40841817
1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809737
1-(3-ethoxyphenyl)-2-[(4-methoxyphenyl)methyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809875

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(4-methylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-methyl-2-[(4-methylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18809799) is 7-methyl-2-[(4-methylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-methyl-2-[(4-methylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-methyl-2-[(4-methylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 7-methyl-2-[(4-methylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is UXJDXJWLCPWYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO6/c1-16-6-9-18(10-7-16)15-30-25(19-13-22(33-3)27(35-5)23(14-19)34-4)24-26(31)20-12-17(2)8-11-21(20)36-28(24)29(30)32/h6-14,25H,15H2,1-5H3.
What are the key properties of 7-methyl-2-[(4-methylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-methyl-2-[(4-methylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 485.54 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(4-methylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18809799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).