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

C24H19N3O4 — CID 18819278

IUPAC1-(4-ethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ncccn2)cc1
InChIInChI=1S/C24H19N3O4/c1-3-30-16-8-6-15(7-9-16)20-19-21(28)17-13-14(2)5-10-18(17)31-22(19)23(29)27(20)24-25-11-4-12-26-24/h4-13,20H,3H2,1-2H3
InChIKeyLZJMTCDDXHFHDO-UHFFFAOYSA-N
MW413.43 g/mol
LogP4.04
Rot. Bonds4

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

1-(4-ethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18819278) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID18819278
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name1-(4-ethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ncccn2)cc1
InChIInChI=1S/C24H19N3O4/c1-3-30-16-8-6-15(7-9-16)20-19-21(28)17-13-14(2)5-10-18(17)31-22(19)23(29)27(20)24-25-11-4-12-26-24/h4-13,20H,3H2,1-2H3
InChIKeyLZJMTCDDXHFHDO-UHFFFAOYSA-N
XLogP4.04
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(7-methyl-3,9-dioxo-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide
CID 3283735
2-(4-ethoxyphenyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857316
1-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857521
1-(3-ethoxy-4-phenylmethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819299
1-(4-butoxyphenyl)-7-fluoro-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820787
1-(4-ethoxyphenyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18857511
7-bromo-1-(4-ethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708772
(1S)-1-(4-ethoxyphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40774186
1-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3300575
7-methyl-2-(6-methyl-2-pyridinyl)-1-(4-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3916642
1-(4-pentoxyphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819123
(1R)-7-methyl-1-(4-methylphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7530316

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18819278) is 1-(4-ethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ncccn2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is LZJMTCDDXHFHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-3-30-16-8-6-15(7-9-16)20-19-21(28)17-13-14(2)5-10-18(17)31-22(19)23(29)27(20)24-25-11-4-12-26-24/h4-13,20H,3H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-ethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 413.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-7-methyl-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18819278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).