1-(4-tert-butylphenyl)-7-chloro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H21ClN2O3 — CID 3662182

IUPAC1-(4-tert-butylphenyl)-7-chloro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(C)(C)c1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1
InChIInChI=1S/C26H21ClN2O3/c1-26(2,3)16-9-7-15(8-10-16)22-21-23(30)18-14-17(27)11-12-19(18)32-24(21)25(31)29(22)20-6-4-5-13-28-20/h4-14,22H,1-3H3
InChIKeyFRYFFVIUOPXRAU-UHFFFAOYSA-N
MW444.92 g/mol
LogP5.89
Rot. Bonds2

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

1-(4-tert-butylphenyl)-7-chloro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3662182) has the molecular formula C26H21ClN2O3 and a molecular weight of 444.92 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-7-chloro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-7-chloro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3662182
Molecular FormulaC26H21ClN2O3
Molecular Weight444.92 g/mol
Exact Mass444.12
IUPAC Name1-(4-tert-butylphenyl)-7-chloro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(C)(C)c1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1
InChIInChI=1S/C26H21ClN2O3/c1-26(2,3)16-9-7-15(8-10-16)22-21-23(30)18-14-17(27)11-12-19(18)32-24(21)25(31)29(22)20-6-4-5-13-28-20/h4-14,22H,1-3H3
InChIKeyFRYFFVIUOPXRAU-UHFFFAOYSA-N
XLogP5.89
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.92
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-tert-butylphenyl)-7-chloro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

7-chloro-1-(4-methylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3876919
1-(4-tert-butylphenyl)-7-chloro-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4596554
1-(4-tert-butylphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708870
7-chloro-1-(4-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3593868
1-(4-chlorophenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708858
(1S)-1-(4-tert-butylphenyl)-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2012883
1-(4-tert-butylphenyl)-7-chloro-2-(1,3-thiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5014741
7-chloro-1-(3-ethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708932
(1R)-7-chloro-1-(3-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1424318
7-chloro-1-(4-methylsulfanylphenyl)-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3784300
7-methyl-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3363656
(1S)-1-(3-chlorophenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7578256

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-7-chloro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(4-tert-butylphenyl)-7-chloro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3662182) is 1-(4-tert-butylphenyl)-7-chloro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(4-tert-butylphenyl)-7-chloro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(4-tert-butylphenyl)-7-chloro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(C)(C)c1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-7-chloro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is FRYFFVIUOPXRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O3/c1-26(2,3)16-9-7-15(8-10-16)22-21-23(30)18-14-17(27)11-12-19(18)32-24(21)25(31)29(22)20-6-4-5-13-28-20/h4-14,22H,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-7-chloro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(4-tert-butylphenyl)-7-chloro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 444.92 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-7-chloro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3662182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).