7-chloro-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H25ClN2O5 — CID 4705986

IUPAC7-chloro-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1OC
InChIInChI=1S/C24H25ClN2O5/c1-26(2)10-5-11-27-21(14-6-8-18(30-3)19(12-14)31-4)20-22(28)16-13-15(25)7-9-17(16)32-23(20)24(27)29/h6-9,12-13,21H,5,10-11H2,1-4H3
InChIKeyKIGLQGYAVBZEDA-UHFFFAOYSA-N
MW456.93 g/mol
LogP3.96
Rot. Bonds7

About 7-chloro-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4705986) has the molecular formula C24H25ClN2O5 and a molecular weight of 456.93 g/mol. Its IUPAC name is 7-chloro-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4705986
Molecular FormulaC24H25ClN2O5
Molecular Weight456.93 g/mol
Exact Mass456.15
IUPAC Name7-chloro-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1OC
InChIInChI=1S/C24H25ClN2O5/c1-26(2)10-5-11-27-21(14-6-8-18(30-3)19(12-14)31-4)20-22(28)16-13-15(25)7-9-17(16)32-23(20)24(27)29/h6-9,12-13,21H,5,10-11H2,1-4H3
InChIKeyKIGLQGYAVBZEDA-UHFFFAOYSA-N
XLogP3.96
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-chloro-3-methyl-4-oxo-4H-chromene-2-carboxamide
CID 11201867
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-chloro-4-oxo-4H-chromene-2-carboxamide
CID 11259253
N-{1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl}-7-fluoro-4-oxo-4H-chromene-2-carboxamide
CID 11510887
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-6-chloro-4-oxo-4H-chromene-2-carboxamide
CID 11546687
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-chloro-6-fluoro-4-oxo-4H-chromene-2-carboxamide
CID 11775505
2-(3-(Diethylamino)propyl)-1-(2,5-dimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 663590
1-(2,3-Dimethoxyphenyl)-2-(3-(dimethylamino)propyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664531
1-(3,4-Dimethoxyphenyl)-2-[2-(morpholin-4-yl)ethyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664682
2-(2-(Diethylamino)ethyl)-1-(3-methoxy-4-propoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664910
7-chloro-1-(3-ethoxy-4-hydroxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 667325
1-(3-Bromophenyl)-7-chloro-2-[2-(dimethylamino)ethyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2954055
1-(3-Methoxyphenyl)-2-[3-(morpholin-4-yl)propyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 4029817

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4705986) is 7-chloro-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1OC.
What is the InChIKey of 7-chloro-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KIGLQGYAVBZEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O5/c1-26(2)10-5-11-27-21(14-6-8-18(30-3)19(12-14)31-4)20-22(28)16-13-15(25)7-9-17(16)32-23(20)24(27)29/h6-9,12-13,21H,5,10-11H2,1-4H3.
What are the key properties of 7-chloro-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 456.93 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(3,4-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4705986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).