(1R)-1-(3-chlorophenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H27ClN2O4 — CID 39865687

IUPAC(1R)-1-(3-chlorophenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCCN1CCOCC1)[C@@H]3c1cccc(Cl)c1
InChIInChI=1S/C26H27ClN2O4/c1-16-13-17(2)21-20(14-16)33-25-22(24(21)30)23(18-5-3-6-19(27)15-18)29(26(25)31)8-4-7-28-9-11-32-12-10-28/h3,5-6,13-15,23H,4,7-12H2,1-2H3/t23-/m1/s1
InChIKeyDATLXUWLTGVRBO-HSZRJFAPSA-N
MW466.97 g/mol
LogP4.33
Rot. Bonds5

About (1R)-1-(3-chlorophenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-(3-chlorophenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 39865687) has the molecular formula C26H27ClN2O4 and a molecular weight of 466.97 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID39865687
Molecular FormulaC26H27ClN2O4
Molecular Weight466.97 g/mol
Exact Mass466.17
IUPAC Name(1R)-1-(3-chlorophenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCCN1CCOCC1)[C@@H]3c1cccc(Cl)c1
InChIInChI=1S/C26H27ClN2O4/c1-16-13-17(2)21-20(14-16)33-25-22(24(21)30)23(18-5-3-6-19(27)15-18)29(26(25)31)8-4-7-28-9-11-32-12-10-28/h3,5-6,13-15,23H,4,7-12H2,1-2H3/t23-/m1/s1
InChIKeyDATLXUWLTGVRBO-HSZRJFAPSA-N
XLogP4.33
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.97
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 50754141
2-butyl-1-(3-chlorophenyl)-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108817
(1S)-7-chloro-1-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27308560
1-(4-ethylphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 50754140
1-(3-chlorophenyl)-2-[(2-chlorophenyl)methyl]-6,8-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108823
1-(3-bromophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705118
(1S)-1-(3,4-dichlorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 26821837
7-chloro-2-(3-morpholin-4-ylpropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705174
2-butyl-1-(3-chlorophenyl)-5,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880770
(1R)-1-(3-hydroxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143765
1-(3-hydroxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19108837
7-bromo-1-(3-bromophenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705191

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-1-(3-chlorophenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 39865687) is (1R)-1-(3-chlorophenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCCN1CCOCC1)[C@@H]3c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is DATLXUWLTGVRBO-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27ClN2O4/c1-16-13-17(2)21-20(14-16)33-25-22(24(21)30)23(18-5-3-6-19(27)15-18)29(26(25)31)8-4-7-28-9-11-32-12-10-28/h3,5-6,13-15,23H,4,7-12H2,1-2H3/t23-/m1/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-1-(3-chlorophenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 466.97 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 39865687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).