(1S)-1-(2-fluorophenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H25FN2O4 — CID 28835945

IUPAC(1S)-1-(2-fluorophenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1F)N(CCN1CCOCC1)C3=O
InChIInChI=1S/C25H25FN2O4/c1-15-13-18-20(14-16(15)2)32-24-21(23(18)29)22(17-5-3-4-6-19(17)26)28(25(24)30)8-7-27-9-11-31-12-10-27/h3-6,13-14,22H,7-12H2,1-2H3/t22-/m1/s1
InChIKeyZBDVYOYLQUHKIY-JOCHJYFZSA-N
MW436.48 g/mol
LogP3.43
Rot. Bonds4

About (1S)-1-(2-fluorophenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-1-(2-fluorophenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 28835945) has the molecular formula C25H25FN2O4 and a molecular weight of 436.48 g/mol. Its IUPAC name is (1S)-1-(2-fluorophenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-1-(2-fluorophenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID28835945
Molecular FormulaC25H25FN2O4
Molecular Weight436.48 g/mol
Exact Mass436.18
IUPAC Name(1S)-1-(2-fluorophenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1F)N(CCN1CCOCC1)C3=O
InChIInChI=1S/C25H25FN2O4/c1-15-13-18-20(14-16(15)2)32-24-21(23(18)29)22(17-5-3-4-6-19(17)26)28(25(24)30)8-7-27-9-11-31-12-10-27/h3-6,13-14,22H,7-12H2,1-2H3/t22-/m1/s1
InChIKeyZBDVYOYLQUHKIY-JOCHJYFZSA-N
XLogP3.43
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.43
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
(1S)-1-(2-fluorophenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143695
(1R)-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2026534
(1S)-7-chloro-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2242626
1-(2-fluorophenyl)-2,6,7-trimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2985110
(1R)-1-(2-fluorophenyl)-6,7-dimethyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2215692
1-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3652302
(1R)-6-methoxy-1-(2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835761
(1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196591
6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705253
7-chloro-1-(2-fluorophenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882569
1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709409

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluorophenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-1-(2-fluorophenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 28835945) is (1S)-1-(2-fluorophenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-1-(2-fluorophenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-1-(2-fluorophenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1F)N(CCN1CCOCC1)C3=O.
What is the InChIKey of (1S)-1-(2-fluorophenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is ZBDVYOYLQUHKIY-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H25FN2O4/c1-15-13-18-20(14-16(15)2)32-24-21(23(18)29)22(17-5-3-4-6-19(17)26)28(25(24)30)8-7-27-9-11-31-12-10-27/h3-6,13-14,22H,7-12H2,1-2H3/t22-/m1/s1.
What are the key properties of (1S)-1-(2-fluorophenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-1-(2-fluorophenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 436.48 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluorophenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 28835945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).