(1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H20FN3O4 — CID 7161963

IUPAC(1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccncc2)N1CCN1CCOCC1
InChIInChI=1S/C22H20FN3O4/c23-15-1-2-17-16(13-15)20(27)18-19(14-3-5-24-6-4-14)26(22(28)21(18)30-17)8-7-25-9-11-29-12-10-25/h1-6,13,19H,7-12H2/t19-/m0/s1
InChIKeyYJAAHKFDCOFFTP-IBGZPJMESA-N
MW409.42 g/mol
LogP2.20
Rot. Bonds4

About (1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 7161963) has the molecular formula C22H20FN3O4 and a molecular weight of 409.42 g/mol. Its IUPAC name is (1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID7161963
Molecular FormulaC22H20FN3O4
Molecular Weight409.42 g/mol
Exact Mass409.14
IUPAC Name(1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccncc2)N1CCN1CCOCC1
InChIInChI=1S/C22H20FN3O4/c23-15-1-2-17-16(13-15)20(27)18-19(14-3-5-24-6-4-14)26(22(28)21(18)30-17)8-7-25-9-11-29-12-10-25/h1-6,13,19H,7-12H2/t19-/m0/s1
InChIKeyYJAAHKFDCOFFTP-IBGZPJMESA-N
XLogP2.20
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196591
(1S)-1-(4-chlorophenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28838445
(1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835363
(1S)-1-(3,4-dimethoxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835415
2-[2-(dimethylamino)ethyl]-7-fluoro-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4894326
1-(4-butoxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709468
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
1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709464
7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709501
7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709499
1-(4-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4546653

Frequently Asked Questions

What is the IUPAC name of (1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 7161963) is (1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccncc2)N1CCN1CCOCC1.
What is the InChIKey of (1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is YJAAHKFDCOFFTP-IBGZPJMESA-N. The full InChI is InChI=1S/C22H20FN3O4/c23-15-1-2-17-16(13-15)20(27)18-19(14-3-5-24-6-4-14)26(22(28)21(18)30-17)8-7-25-9-11-29-12-10-25/h1-6,13,19H,7-12H2/t19-/m0/s1.
What are the key properties of (1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 409.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 7161963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).