7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H27ClN2O4 — CID 19134441

IUPAC7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1cccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCN(C)C)c1
InChIInChI=1S/C26H27ClN2O4/c1-5-12-32-18-9-6-8-17(14-18)23-22-24(30)19-15-20(27)16(2)13-21(19)33-25(22)26(31)29(23)11-7-10-28(3)4/h5-6,8-9,13-15,23H,1,7,10-12H2,2-4H3
InChIKeyGBCFGDVTVZVCGQ-UHFFFAOYSA-N
MW466.97 g/mol
LogP4.82
Rot. Bonds8

About 7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19134441) has the molecular formula C26H27ClN2O4 and a molecular weight of 466.97 g/mol. Its IUPAC name is 7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID19134441
Molecular FormulaC26H27ClN2O4
Molecular Weight466.97 g/mol
Exact Mass466.17
IUPAC Name7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1cccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCN(C)C)c1
InChIInChI=1S/C26H27ClN2O4/c1-5-12-32-18-9-6-8-17(14-18)23-22-24(30)19-15-20(27)16(2)13-21(19)33-25(22)26(31)29(23)11-7-10-28(3)4/h5-6,8-9,13-15,23H,1,7,10-12H2,2-4H3
InChIKeyGBCFGDVTVZVCGQ-UHFFFAOYSA-N
XLogP4.82
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.97
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882476
(1S)-7-chloro-1-(4-chlorophenyl)-2-[3-(dimethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417719
7-chloro-6-methyl-1-(3-pentoxyphenyl)-2-prop-2-enyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882432
(1R)-2-[3-(diethylamino)propyl]-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2027301
2-[3-(diethylamino)propyl]-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3397842
7-chloro-1-(3-chlorophenyl)-2-[3-(diethylamino)propyl]-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134467
7-chloro-6-methyl-1-[3-(3-methylbutoxy)phenyl]-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18882384
(1S)-7-chloro-2-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2242541
(1R)-2-[3-(dimethylamino)propyl]-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2024420
2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810927
(1S)-2-[2-(dimethylamino)ethyl]-1-(3-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40768056
(1S)-2-[3-(dimethylamino)propyl]-1-(3-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27308879

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19134441) is 7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1cccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCN(C)C)c1.
What is the InChIKey of 7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is GBCFGDVTVZVCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O4/c1-5-12-32-18-9-6-8-17(14-18)23-22-24(30)19-15-20(27)16(2)13-21(19)33-25(22)26(31)29(23)11-7-10-28(3)4/h5-6,8-9,13-15,23H,1,7,10-12H2,2-4H3.
What are the key properties of 7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 466.97 g/mol, XLogP of 4.82, 8 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]-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19134441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).