7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H31ClN2O3 — CID 73263685

IUPAC7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(C2C3=C(OC4CC(C)C(Cl)CC4C3=O)C(=O)N2CCCN(C)C)cc1
InChIInChI=1S/C24H31ClN2O3/c1-14-6-8-16(9-7-14)21-20-22(28)17-13-18(25)15(2)12-19(17)30-23(20)24(29)27(21)11-5-10-26(3)4/h6-9,15,17-19,21H,5,10-13H2,1-4H3
InChIKeyQRNLIFDIYLJDMZ-UHFFFAOYSA-N
MW430.98 g/mol
LogP3.71
Rot. Bonds5

About 7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 73263685) has the molecular formula C24H31ClN2O3 and a molecular weight of 430.98 g/mol. Its IUPAC name is 7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID73263685
Molecular FormulaC24H31ClN2O3
Molecular Weight430.98 g/mol
Exact Mass430.20
IUPAC Name7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc(C2C3=C(OC4CC(C)C(Cl)CC4C3=O)C(=O)N2CCCN(C)C)cc1
InChIInChI=1S/C24H31ClN2O3/c1-14-6-8-16(9-7-14)21-20-22(28)17-13-18(25)15(2)12-19(17)30-23(20)24(29)27(21)11-5-10-26(3)4/h6-9,15,17-19,21H,5,10-13H2,1-4H3
InChIKeyQRNLIFDIYLJDMZ-UHFFFAOYSA-N
XLogP3.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.98
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

2-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73260611
2-[3-(dimethylamino)propyl]-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78256349
1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74759366
2-[3-(dimethylamino)propyl]-1-(2-fluorophenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73260490
7-chloro-2-[3-(dimethylamino)propyl]-1-(4-propoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78264665
2-[3-(dimethylamino)propyl]-1-(4-ethylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74711975
2-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73263693
7-chloro-2-(2-hydroxyethyl)-1-(3-hydroxyphenyl)-6-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78248913
2-[2-(diethylamino)ethyl]-6,7-dimethyl-1-phenyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74711240
2-[2-(diethylamino)ethyl]-1-(4-methoxyphenyl)-6,7-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74724282
7-chloro-1-(4-ethylphenyl)-6-methyl-2-(pyridin-3-ylmethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78253449
1-(3-butoxyphenyl)-2-[3-(dimethylamino)propyl]-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73261163

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 73263685) is 7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc(C2C3=C(OC4CC(C)C(Cl)CC4C3=O)C(=O)N2CCCN(C)C)cc1.
What is the InChIKey of 7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is QRNLIFDIYLJDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN2O3/c1-14-6-8-16(9-7-14)21-20-22(28)17-13-18(25)15(2)12-19(17)30-23(20)24(29)27(21)11-5-10-26(3)4/h6-9,15,17-19,21H,5,10-13H2,1-4H3.
What are the key properties of 7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 430.98 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[3-(dimethylamino)propyl]-6-methyl-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 73263685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).