(1R)-2-[(2-chlorophenyl)methyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H15ClN2O3 — CID 40541817

IUPAC(1R)-2-[(2-chlorophenyl)methyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccnc2)N1Cc1ccccc1Cl
InChIInChI=1S/C23H15ClN2O3/c24-17-9-3-1-6-15(17)13-26-20(14-7-5-11-25-12-14)19-21(27)16-8-2-4-10-18(16)29-22(19)23(26)28/h1-12,20H,13H2/t20-/m1/s1
InChIKeyIQVFMWCWYHXLLT-HXUWFJFHSA-N
MW402.84 g/mol
LogP4.59
Rot. Bonds3

About (1R)-2-[(2-chlorophenyl)methyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-2-[(2-chlorophenyl)methyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 40541817) has the molecular formula C23H15ClN2O3 and a molecular weight of 402.84 g/mol. Its IUPAC name is (1R)-2-[(2-chlorophenyl)methyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-2-[(2-chlorophenyl)methyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID40541817
Molecular FormulaC23H15ClN2O3
Molecular Weight402.84 g/mol
Exact Mass402.08
IUPAC Name(1R)-2-[(2-chlorophenyl)methyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccnc2)N1Cc1ccccc1Cl
InChIInChI=1S/C23H15ClN2O3/c24-17-9-3-1-6-15(17)13-26-20(14-7-5-11-25-12-14)19-21(27)16-8-2-4-10-18(16)29-22(19)23(26)28/h1-12,20H,13H2/t20-/m1/s1
InChIKeyIQVFMWCWYHXLLT-HXUWFJFHSA-N
XLogP4.59
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40841742
(1S)-2-[(2-chlorophenyl)methyl]-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143941
(1R)-2-[2-(dimethylamino)ethyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 941803
2-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809565
2-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4316394
1-phenyl-2-(pyridin-4-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4898712
(1S)-2-[2-(diethylamino)ethyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2022424
7-chloro-1-pyridin-3-yl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4902261
2-benzyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3635829
7-bromo-1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810608
(1R)-2-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41062401
2-[(2-chlorophenyl)methyl]-7-methyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809795

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2-chlorophenyl)methyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-2-[(2-chlorophenyl)methyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 40541817) is (1R)-2-[(2-chlorophenyl)methyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-2-[(2-chlorophenyl)methyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-2-[(2-chlorophenyl)methyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccnc2)N1Cc1ccccc1Cl.
What is the InChIKey of (1R)-2-[(2-chlorophenyl)methyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is IQVFMWCWYHXLLT-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H15ClN2O3/c24-17-9-3-1-6-15(17)13-26-20(14-7-5-11-25-12-14)19-21(27)16-8-2-4-10-18(16)29-22(19)23(26)28/h1-12,20H,13H2/t20-/m1/s1.
What are the key properties of (1R)-2-[(2-chlorophenyl)methyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-2-[(2-chlorophenyl)methyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 402.84 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2-chlorophenyl)methyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 40541817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).