2-(5-chloro-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H19ClN2O3 — CID 5238749

IUPAC2-(5-chloro-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(C)c1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1
InChIInChI=1S/C25H19ClN2O3/c1-14(2)15-7-9-16(10-8-15)22-21-23(29)18-5-3-4-6-19(18)31-24(21)25(30)28(22)20-12-11-17(26)13-27-20/h3-14,22H,1-2H3
InChIKeyAWHHEENBXJLBBS-UHFFFAOYSA-N
MW430.89 g/mol
LogP5.71
Rot. Bonds3

About 2-(5-chloro-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(5-chloro-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 5238749) has the molecular formula C25H19ClN2O3 and a molecular weight of 430.89 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID5238749
Molecular FormulaC25H19ClN2O3
Molecular Weight430.89 g/mol
Exact Mass430.11
IUPAC Name2-(5-chloro-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(C)c1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1
InChIInChI=1S/C25H19ClN2O3/c1-14(2)15-7-9-16(10-8-15)22-21-23(29)18-5-3-4-6-19(18)31-24(21)25(30)28(22)20-12-11-17(26)13-27-20/h3-14,22H,1-2H3
InChIKeyAWHHEENBXJLBBS-UHFFFAOYSA-N
XLogP5.71
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.89
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3333108
1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3295716
2-(5-chloro-2-pyridinyl)-1-(4-ethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3529831
2-(5-chloro-2-pyridinyl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4563275
1-(3-chlorophenyl)-2-(5-chloro-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4254732
(1S)-2-(5-chloro-2-pyridinyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2008909
7-bromo-2-(5-chloro-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5214330
7-chloro-2-(5-chloro-2-pyridinyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5110956
6,7-dimethyl-2-(5-methyl-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709096
7-methyl-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3363656
2-(4-bromophenyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852849
2-(5-chloro-2-pyridinyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819144

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 5238749) is 2-(5-chloro-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(C)c1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is AWHHEENBXJLBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O3/c1-14(2)15-7-9-16(10-8-15)22-21-23(29)18-5-3-4-6-19(18)31-24(21)25(30)28(22)20-12-11-17(26)13-27-20/h3-14,22H,1-2H3.
What are the key properties of 2-(5-chloro-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(5-chloro-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 430.89 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 5238749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).