(1S)-7-chloro-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H22ClFN2O4 — CID 2242626

IUPAC(1S)-7-chloro-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2F)N1CCCN1CCOCC1
InChIInChI=1S/C24H22ClFN2O4/c25-15-6-7-19-17(14-15)22(29)20-21(16-4-1-2-5-18(16)26)28(24(30)23(20)32-19)9-3-8-27-10-12-31-13-11-27/h1-2,4-7,14,21H,3,8-13H2/t21-/m1/s1
InChIKeyVRKKUDQUEKELAM-OAQYLSRUSA-N
MW456.90 g/mol
LogP3.85
Rot. Bonds5

About (1S)-7-chloro-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-7-chloro-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2242626) has the molecular formula C24H22ClFN2O4 and a molecular weight of 456.90 g/mol. Its IUPAC name is (1S)-7-chloro-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-7-chloro-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2242626
Molecular FormulaC24H22ClFN2O4
Molecular Weight456.90 g/mol
Exact Mass456.13
IUPAC Name(1S)-7-chloro-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2F)N1CCCN1CCOCC1
InChIInChI=1S/C24H22ClFN2O4/c25-15-6-7-19-17(14-15)22(29)20-21(16-4-1-2-5-18(16)26)28(24(30)23(20)32-19)9-3-8-27-10-12-31-13-11-27/h1-2,4-7,14,21H,3,8-13H2/t21-/m1/s1
InChIKeyVRKKUDQUEKELAM-OAQYLSRUSA-N
XLogP3.85
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.90
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-7-chloro-1-(2-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28836056
(1R)-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2026534
(1S)-7-chloro-1-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27308560
7-chloro-1-(4-hydroxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705152
(1S)-1-(2-fluorophenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835945
7-chloro-1-(4-ethylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4711228
7-chloro-1-(2-fluorophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3556367
1-(3,4-dichlorophenyl)-7-fluoro-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705282
(1R)-1-(3,4-dichlorophenyl)-7-fluoro-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 29204945
(1S)-1-(4-chlorophenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28838445
7-chloro-2-(3-morpholin-4-ylpropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705174
7-chloro-1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4216940

Frequently Asked Questions

What is the IUPAC name of (1S)-7-chloro-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-7-chloro-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2242626) is (1S)-7-chloro-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-7-chloro-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-7-chloro-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2F)N1CCCN1CCOCC1.
What is the InChIKey of (1S)-7-chloro-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is VRKKUDQUEKELAM-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H22ClFN2O4/c25-15-6-7-19-17(14-15)22(29)20-21(16-4-1-2-5-18(16)26)28(24(30)23(20)32-19)9-3-8-27-10-12-31-13-11-27/h1-2,4-7,14,21H,3,8-13H2/t21-/m1/s1.
What are the key properties of (1S)-7-chloro-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-7-chloro-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 456.90 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-chloro-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2242626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).