(1S)-1-(3-hydroxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H16N2O4 — CID 1402414

IUPAC(1S)-1-(3-hydroxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(O)c2)c1
InChIInChI=1S/C23H16N2O4/c1-13-9-10-24-18(11-13)25-20(14-5-4-6-15(26)12-14)19-21(27)16-7-2-3-8-17(16)29-22(19)23(25)28/h2-12,20,26H,1H3/t20-/m0/s1
InChIKeyQEIFONOVMCHCAX-FQEVSTJZSA-N
MW384.39 g/mol
LogP3.95
Rot. Bonds2

About (1S)-1-(3-hydroxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-1-(3-hydroxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 1402414) has the molecular formula C23H16N2O4 and a molecular weight of 384.39 g/mol. Its IUPAC name is (1S)-1-(3-hydroxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-1-(3-hydroxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID1402414
Molecular FormulaC23H16N2O4
Molecular Weight384.39 g/mol
Exact Mass384.11
IUPAC Name(1S)-1-(3-hydroxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(O)c2)c1
InChIInChI=1S/C23H16N2O4/c1-13-9-10-24-18(11-13)25-20(14-5-4-6-15(26)12-14)19-21(27)16-7-2-3-8-17(16)29-22(19)23(25)28/h2-12,20,26H,1H3/t20-/m0/s1
InChIKeyQEIFONOVMCHCAX-FQEVSTJZSA-N
XLogP3.95
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-(3-hydroxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

2-(4-methyl-2-pyridinyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18819158
1-(3-ethoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4911357
2-(4-methyl-2-pyridinyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4535068
(1R)-1-(4-hydroxy-3-methoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1401790
(1S)-1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1398900
(1S)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2144437
(1R)-7-methyl-1-(4-methylphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7530316
1-(3-methoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3692677
7-bromo-1-(3-methoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3992895
7-chloro-1-(3-methoxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4013762
(1S)-2-ethyl-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40872018
1-(3-fluorophenyl)-7-methyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4043740

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-hydroxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-1-(3-hydroxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 1402414) is (1S)-1-(3-hydroxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-1-(3-hydroxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-1-(3-hydroxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(O)c2)c1.
What is the InChIKey of (1S)-1-(3-hydroxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is QEIFONOVMCHCAX-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H16N2O4/c1-13-9-10-24-18(11-13)25-20(14-5-4-6-15(26)12-14)19-21(27)16-7-2-3-8-17(16)29-22(19)23(25)28/h2-12,20,26H,1H3/t20-/m0/s1.
What are the key properties of (1S)-1-(3-hydroxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-1-(3-hydroxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 384.39 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-hydroxyphenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 1402414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).