2-benzyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H16N2O3 — CID 665430

IUPAC2-benzyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2ccccn2)N1Cc1ccccc1
InChIInChI=1S/C23H16N2O3/c26-21-16-10-4-5-12-18(16)28-22-19(21)20(17-11-6-7-13-24-17)25(23(22)27)14-15-8-2-1-3-9-15/h1-13,20H,14H2
InChIKeyMRENTBLOCLVOKT-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.93
Rot. Bonds3

About 2-benzyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-benzyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 665430) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-benzyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-benzyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID665430
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name2-benzyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2ccccn2)N1Cc1ccccc1
InChIInChI=1S/C23H16N2O3/c26-21-16-10-4-5-12-18(16)28-22-19(21)20(17-11-6-7-13-24-17)25(23(22)27)14-15-8-2-1-3-9-15/h1-13,20H,14H2
InChIKeyMRENTBLOCLVOKT-UHFFFAOYSA-N
XLogP3.93
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-((1H-indol-6-yl)methyl)piperidin-4-yl)-7-fluoro-4-oxo-4H-chromene-2-carboxamide
CID 11495432
N-(1-((1H-indol-5-yl)methyl)piperidin-4-yl)-7-fluoro-4-oxo-4H-chromene-2-carboxamide
CID 11589812
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-5-yloxypropan-1-one
CID 45487339
4-(2-methoxyphenyl)-2-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 163405529
(4E)-4-[1-benzofuran-2-yl(hydroxy)methylidene]-1-[3-(morpholin-4-yl)propyl]-5-(pyridin-2-yl)pyrrolidine-2,3-dione
CID 661937
4-(Benzo[d]furan-2-ylcarbonyl)-1-[3-(diethylamino)propyl]-3-hydroxy-5-(2-pyrid yl)-3-pyrrolin-2-one
CID 661982
2-(3-(Diethylamino)propyl)-1-(pyridin-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664227
2-Methyl-1-(pyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 665545
2-Methyl-1-(pyridin-4-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 665632
2-(Furan-2-ylmethyl)-1-(pyridin-3-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 665746
1-(4-Hydroxy-3-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 666588
1-{1-[2-(4-morpholinyl)-2-oxoethyl]-1H-indol-3-yl}-2-phenoxyethanone
CID 2219494

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-benzyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 665430) is 2-benzyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-benzyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-benzyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2C(c2ccccn2)N1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is MRENTBLOCLVOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3/c26-21-16-10-4-5-12-18(16)28-22-19(21)20(17-11-6-7-13-24-17)25(23(22)27)14-15-8-2-1-3-9-15/h1-13,20H,14H2.
What are the key properties of 2-benzyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-benzyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 368.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 665430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).