(1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H24Cl2N2O4 — CID 26821837

IUPAC(1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(CCCN1CCOCC1)C3=O
InChIInChI=1S/C25H24Cl2N2O4/c1-15-3-6-20-17(13-15)23(30)21-22(16-4-5-18(26)19(27)14-16)29(25(31)24(21)33-20)8-2-7-28-9-11-32-12-10-28/h3-6,13-14,22H,2,7-12H2,1H3/t22-/m0/s1
InChIKeyAVOUIUDNTCQNDR-QFIPXVFZSA-N
MW487.38 g/mol
LogP4.68
Rot. Bonds5

About (1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 26821837) has the molecular formula C25H24Cl2N2O4 and a molecular weight of 487.38 g/mol. Its IUPAC name is (1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID26821837
Molecular FormulaC25H24Cl2N2O4
Molecular Weight487.38 g/mol
Exact Mass486.11
IUPAC Name(1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(CCCN1CCOCC1)C3=O
InChIInChI=1S/C25H24Cl2N2O4/c1-15-3-6-20-17(13-15)23(30)21-22(16-4-5-18(26)19(27)14-16)29(25(31)24(21)33-20)8-2-7-28-9-11-32-12-10-28/h3-6,13-14,22H,2,7-12H2,1H3/t22-/m0/s1
InChIKeyAVOUIUDNTCQNDR-QFIPXVFZSA-N
XLogP4.68
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(3,4-dichlorophenyl)-7-fluoro-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 29204945
1-(3,4-dichlorophenyl)-7-fluoro-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705282
(1R)-1-(4-bromophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 1034349
1-(3-bromophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705118
1-(3,4-dichlorophenyl)-2-[3-(dimethylamino)propyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705856
7-bromo-1-(4-methylphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4292395
(1R)-7-methyl-2-(2-morpholin-4-ylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 30469550
1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705585
(1R)-7-methyl-2-(3-morpholin-4-ylpropyl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7161917
(1S)-7-chloro-1-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27308560
1-(3-hydroxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709263
7-methyl-1-(4-methylsulfanylphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709283

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 26821837) is (1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(CCCN1CCOCC1)C3=O.
What is the InChIKey of (1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is AVOUIUDNTCQNDR-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H24Cl2N2O4/c1-15-3-6-20-17(13-15)23(30)21-22(16-4-5-18(26)19(27)14-16)29(25(31)24(21)33-20)8-2-7-28-9-11-32-12-10-28/h3-6,13-14,22H,2,7-12H2,1H3/t22-/m0/s1.
What are the key properties of (1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 487.38 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 26821837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).