7-chloro-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C21H20ClN3O3 — CID 4898159

IUPAC7-chloro-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1cccnc1
InChIInChI=1S/C21H20ClN3O3/c1-24(2)9-4-10-25-18(13-5-3-8-23-12-13)17-19(26)15-11-14(22)6-7-16(15)28-20(17)21(25)27/h3,5-8,11-12,18H,4,9-10H2,1-2H3
InChIKeyHXVHCMDMCUHWLL-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.34
Rot. Bonds5

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

7-chloro-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4898159) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 7-chloro-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4898159
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name7-chloro-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1cccnc1
InChIInChI=1S/C21H20ClN3O3/c1-24(2)9-4-10-25-18(13-5-3-8-23-12-13)17-19(26)15-11-14(22)6-7-16(15)28-20(17)21(25)27/h3,5-8,11-12,18H,4,9-10H2,1-2H3
InChIKeyHXVHCMDMCUHWLL-UHFFFAOYSA-N
XLogP3.34
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4898159) is 7-chloro-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1cccnc1.
What is the InChIKey of 7-chloro-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is HXVHCMDMCUHWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-24(2)9-4-10-25-18(13-5-3-8-23-12-13)17-19(26)15-11-14(22)6-7-16(15)28-20(17)21(25)27/h3,5-8,11-12,18H,4,9-10H2,1-2H3.
What are the key properties of 7-chloro-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 397.86 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4898159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).