1-phenyl-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H16N2O3 — CID 4898712

IUPAC1-phenyl-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2ccccc2)N1Cc1ccncc1
InChIInChI=1S/C23H16N2O3/c26-21-17-8-4-5-9-18(17)28-22-19(21)20(16-6-2-1-3-7-16)25(23(22)27)14-15-10-12-24-13-11-15/h1-13,20H,14H2
InChIKeyFFKHMEJXTQSGOB-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.93
Rot. Bonds3

About 1-phenyl-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-phenyl-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4898712) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-phenyl-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-phenyl-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4898712
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name1-phenyl-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2ccccc2)N1Cc1ccncc1
InChIInChI=1S/C23H16N2O3/c26-21-17-8-4-5-9-18(17)28-22-19(21)20(16-6-2-1-3-7-16)25(23(22)27)14-15-10-12-24-13-11-15/h1-13,20H,14H2
InChIKeyFFKHMEJXTQSGOB-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

2-benzyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3635829
2-[(4-methylphenyl)methyl]-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3347808
(1S)-2-(pyridin-4-ylmethyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316976
(1S)-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40841742
(1R)-1-(3-prop-2-enoxyphenyl)-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316958
1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809538
1-(4-chlorophenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4678491
(1S)-2-benzyl-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1034380
(1R)-2-[(2-chlorophenyl)methyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40541817
(1S)-1-phenyl-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 974606
2-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113960
(1R)-2-[(4-fluorophenyl)methyl]-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143952

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-phenyl-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4898712) is 1-phenyl-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-phenyl-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-phenyl-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2C(c2ccccc2)N1Cc1ccncc1.
What is the InChIKey of 1-phenyl-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is FFKHMEJXTQSGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3/c26-21-17-8-4-5-9-18(17)28-22-19(21)20(16-6-2-1-3-7-16)25(23(22)27)14-15-10-12-24-13-11-15/h1-13,20H,14H2.
What are the key properties of 1-phenyl-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-phenyl-2-(pyridin-4-ylmethyl)-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 1-phenyl-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4898712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).