(1S)-2-(5-chloro-2-pyridinyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H15ClN2O3 — CID 2008909

IUPAC(1S)-2-(5-chloro-2-pyridinyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(c1ccc(Cl)cn1)C3=O
InChIInChI=1S/C23H15ClN2O3/c1-13-7-9-17-16(11-13)21(27)19-20(14-5-3-2-4-6-14)26(23(28)22(19)29-17)18-10-8-15(24)12-25-18/h2-12,20H,1H3/t20-/m0/s1
InChIKeyALWIZNIPJGRIJH-FQEVSTJZSA-N
MW402.84 g/mol
LogP4.90
Rot. Bonds2

About (1S)-2-(5-chloro-2-pyridinyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-2-(5-chloro-2-pyridinyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2008909) has the molecular formula C23H15ClN2O3 and a molecular weight of 402.84 g/mol. Its IUPAC name is (1S)-2-(5-chloro-2-pyridinyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-2-(5-chloro-2-pyridinyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2008909
Molecular FormulaC23H15ClN2O3
Molecular Weight402.84 g/mol
Exact Mass402.08
IUPAC Name(1S)-2-(5-chloro-2-pyridinyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(c1ccc(Cl)cn1)C3=O
InChIInChI=1S/C23H15ClN2O3/c1-13-7-9-17-16(11-13)21(27)19-20(14-5-3-2-4-6-14)26(23(28)22(19)29-17)18-10-8-15(24)12-25-18/h2-12,20H,1H3/t20-/m0/s1
InChIKeyALWIZNIPJGRIJH-FQEVSTJZSA-N
XLogP4.90
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S)-2-(5-chloro-2-pyridinyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

7-bromo-2-(5-chloro-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5214330
7-fluoro-2-(5-methyl-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709102
2-(5-chloro-2-pyridinyl)-7-methyl-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819322
2-(5-chloro-2-pyridinyl)-1-(4-hexoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819329
7-chloro-1-(4-methylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3876919
1-(4-chlorophenyl)-7-fluoro-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709103
1-(3-chlorophenyl)-2-(5-chloro-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4254732
7-chloro-2-(5-chloro-2-pyridinyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5110956
7-methyl-2-(5-methyl-2-pyridinyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708972
7-chloro-1-(3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709168
2-(5-chloro-2-pyridinyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5238749
2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3333108

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(5-chloro-2-pyridinyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-2-(5-chloro-2-pyridinyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2008909) is (1S)-2-(5-chloro-2-pyridinyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-2-(5-chloro-2-pyridinyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-2-(5-chloro-2-pyridinyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(c1ccc(Cl)cn1)C3=O.
What is the InChIKey of (1S)-2-(5-chloro-2-pyridinyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ALWIZNIPJGRIJH-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H15ClN2O3/c1-13-7-9-17-16(11-13)21(27)19-20(14-5-3-2-4-6-14)26(23(28)22(19)29-17)18-10-8-15(24)12-25-18/h2-12,20H,1H3/t20-/m0/s1.
What are the key properties of (1S)-2-(5-chloro-2-pyridinyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-2-(5-chloro-2-pyridinyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 402.84 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(5-chloro-2-pyridinyl)-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2008909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).