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

C20H18FN3O3 — CID 4894326

IUPAC2-[2-(dimethylamino)ethyl]-7-fluoro-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN(C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1ccncc1
InChIInChI=1S/C20H18FN3O3/c1-23(2)9-10-24-17(12-5-7-22-8-6-12)16-18(25)14-11-13(21)3-4-15(14)27-19(16)20(24)26/h3-8,11,17H,9-10H2,1-2H3
InChIKeyDGXNRHOAPBHXCX-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.43
Rot. Bonds4

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

2-[2-(dimethylamino)ethyl]-7-fluoro-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4894326) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-7-fluoro-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-7-fluoro-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4894326
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name2-[2-(dimethylamino)ethyl]-7-fluoro-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN(C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1ccncc1
InChIInChI=1S/C20H18FN3O3/c1-23(2)9-10-24-17(12-5-7-22-8-6-12)16-18(25)14-11-13(21)3-4-15(14)27-19(16)20(24)26/h3-8,11,17H,9-10H2,1-2H3
InChIKeyDGXNRHOAPBHXCX-UHFFFAOYSA-N
XLogP2.43
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066659
2-[2-(dimethylamino)ethyl]-7-fluoro-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4895862
(1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7161963
2-[2-(dimethylamino)ethyl]-7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705759
2-[2-(dimethylamino)ethyl]-7-fluoro-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4894342
(1S)-2-[3-(dimethylamino)propyl]-7-fluoro-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196581
(1R)-1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066631
(1R)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41019845
(1R)-2-[3-(dimethylamino)propyl]-7-fluoro-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42066651
2-[2-(dimethylamino)ethyl]-7-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705578
2-[2-(dimethylamino)ethyl]-7-fluoro-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705768
(1R)-2-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196564

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-7-fluoro-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-7-fluoro-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4894326) is 2-[2-(dimethylamino)ethyl]-7-fluoro-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-7-fluoro-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-7-fluoro-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CN(C)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2C1c1ccncc1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-7-fluoro-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is DGXNRHOAPBHXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-23(2)9-10-24-17(12-5-7-22-8-6-12)16-18(25)14-11-13(21)3-4-15(14)27-19(16)20(24)26/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-7-fluoro-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[2-(dimethylamino)ethyl]-7-fluoro-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 367.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-7-fluoro-1-pyridin-4-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4894326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).