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

C23H22ClN3O4 — CID 4895205

IUPAC7-chloro-2-(3-morpholin-4-ylpropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2ccccn2)N1CCCN1CCOCC1
InChIInChI=1S/C23H22ClN3O4/c24-15-5-6-18-16(14-15)21(28)19-20(17-4-1-2-7-25-17)27(23(29)22(19)31-18)9-3-8-26-10-12-30-13-11-26/h1-2,4-7,14,20H,3,8-13H2
InChIKeyOEKBVJPUKOWHMJ-UHFFFAOYSA-N
MW439.90 g/mol
LogP3.11
Rot. Bonds5

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

7-chloro-2-(3-morpholin-4-ylpropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4895205) has the molecular formula C23H22ClN3O4 and a molecular weight of 439.90 g/mol. Its IUPAC name is 7-chloro-2-(3-morpholin-4-ylpropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-(3-morpholin-4-ylpropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4895205
Molecular FormulaC23H22ClN3O4
Molecular Weight439.90 g/mol
Exact Mass439.13
IUPAC Name7-chloro-2-(3-morpholin-4-ylpropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2ccccn2)N1CCCN1CCOCC1
InChIInChI=1S/C23H22ClN3O4/c24-15-5-6-18-16(14-15)21(28)19-20(17-4-1-2-7-25-17)27(23(29)22(19)31-18)9-3-8-26-10-12-30-13-11-26/h1-2,4-7,14,20H,3,8-13H2
InChIKeyOEKBVJPUKOWHMJ-UHFFFAOYSA-N
XLogP3.11
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(3-morpholin-4-ylpropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-(3-morpholin-4-ylpropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4895205) is 7-chloro-2-(3-morpholin-4-ylpropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-2-(3-morpholin-4-ylpropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-(3-morpholin-4-ylpropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2ccccn2)N1CCCN1CCOCC1.
What is the InChIKey of 7-chloro-2-(3-morpholin-4-ylpropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is OEKBVJPUKOWHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4/c24-15-5-6-18-16(14-15)21(28)19-20(17-4-1-2-7-25-17)27(23(29)22(19)31-18)9-3-8-26-10-12-30-13-11-26/h1-2,4-7,14,20H,3,8-13H2.
What are the key properties of 7-chloro-2-(3-morpholin-4-ylpropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-(3-morpholin-4-ylpropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 439.90 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(3-morpholin-4-ylpropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4895205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).