(1R)-7-chloro-1-(3-hydroxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H15ClN2O4 — CID 1400214

IUPAC(1R)-7-chloro-1-(3-hydroxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(O)c2)n1
InChIInChI=1S/C23H15ClN2O4/c1-12-4-2-7-18(25-12)26-20(13-5-3-6-15(27)10-13)19-21(28)16-11-14(24)8-9-17(16)30-22(19)23(26)29/h2-11,20,27H,1H3/t20-/m1/s1
InChIKeyJHZRKSCZEMGURD-HXUWFJFHSA-N
MW418.84 g/mol
LogP4.61
Rot. Bonds2

About (1R)-7-chloro-1-(3-hydroxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-7-chloro-1-(3-hydroxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 1400214) has the molecular formula C23H15ClN2O4 and a molecular weight of 418.84 g/mol. Its IUPAC name is (1R)-7-chloro-1-(3-hydroxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-7-chloro-1-(3-hydroxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID1400214
Molecular FormulaC23H15ClN2O4
Molecular Weight418.84 g/mol
Exact Mass418.07
IUPAC Name(1R)-7-chloro-1-(3-hydroxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(O)c2)n1
InChIInChI=1S/C23H15ClN2O4/c1-12-4-2-7-18(25-12)26-20(13-5-3-6-15(27)10-13)19-21(28)16-11-14(24)8-9-17(16)30-22(19)23(26)29/h2-11,20,27H,1H3/t20-/m1/s1
InChIKeyJHZRKSCZEMGURD-HXUWFJFHSA-N
XLogP4.61
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.84
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-1-(3-methoxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4269347
1-(3-chlorophenyl)-7-fluoro-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4675379
7-chloro-1-[3-(3-methylbutoxy)phenyl]-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5002759
2-(4-bromophenyl)-7-chloro-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2967503
7-methyl-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819359
methyl 2-[7-chloro-1-(3-hydroxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 4708624
7-bromo-2-(6-methyl-2-pyridinyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3772979
7-chloro-2-(5-chloro-2-pyridinyl)-1-(4-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5110956
7-methyl-2-(6-methyl-2-pyridinyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819363
7-bromo-1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819701
7-chloro-1-(4-methylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3876919
7-chloro-1-(3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709168

Frequently Asked Questions

What is the IUPAC name of (1R)-7-chloro-1-(3-hydroxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-7-chloro-1-(3-hydroxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 1400214) is (1R)-7-chloro-1-(3-hydroxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-7-chloro-1-(3-hydroxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-7-chloro-1-(3-hydroxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(O)c2)n1.
What is the InChIKey of (1R)-7-chloro-1-(3-hydroxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is JHZRKSCZEMGURD-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H15ClN2O4/c1-12-4-2-7-18(25-12)26-20(13-5-3-6-15(27)10-13)19-21(28)16-11-14(24)8-9-17(16)30-22(19)23(26)29/h2-11,20,27H,1H3/t20-/m1/s1.
What are the key properties of (1R)-7-chloro-1-(3-hydroxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-7-chloro-1-(3-hydroxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 418.84 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-chloro-1-(3-hydroxyphenyl)-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 1400214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).