7-chloro-2-(2-morpholin-4-ylethyl)-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H26ClN3O4 — CID 74570962

IUPAC7-chloro-2-(2-morpholin-4-ylethyl)-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1C2=C(OC3CCC(Cl)CC13)C(=O)N(CCN1CCOCC1)C2c1cccnc1
InChIInChI=1S/C22H26ClN3O4/c23-15-3-4-17-16(12-15)20(27)18-19(14-2-1-5-24-13-14)26(22(28)21(18)30-17)7-6-25-8-10-29-11-9-25/h1-2,5,13,15-17,19H,3-4,6-12H2
InChIKeyDNPKXNKDIOODPO-UHFFFAOYSA-N
MW431.92 g/mol
LogP1.93
Rot. Bonds4

About 7-chloro-2-(2-morpholin-4-ylethyl)-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-2-(2-morpholin-4-ylethyl)-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 74570962) has the molecular formula C22H26ClN3O4 and a molecular weight of 431.92 g/mol. Its IUPAC name is 7-chloro-2-(2-morpholin-4-ylethyl)-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-2-(2-morpholin-4-ylethyl)-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID74570962
Molecular FormulaC22H26ClN3O4
Molecular Weight431.92 g/mol
Exact Mass431.16
IUPAC Name7-chloro-2-(2-morpholin-4-ylethyl)-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1C2=C(OC3CCC(Cl)CC13)C(=O)N(CCN1CCOCC1)C2c1cccnc1
InChIInChI=1S/C22H26ClN3O4/c23-15-3-4-17-16(12-15)20(27)18-19(14-2-1-5-24-13-14)26(22(28)21(18)30-17)7-6-25-8-10-29-11-9-25/h1-2,5,13,15-17,19H,3-4,6-12H2
InChIKeyDNPKXNKDIOODPO-UHFFFAOYSA-N
XLogP1.93
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-chloro-2-(2-morpholin-4-ylethyl)-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

7-chloro-2-(2-morpholin-4-ylethyl)-1-phenyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78264719
7-chloro-2-(3-morpholin-4-ylpropyl)-1-phenyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78264706
7-chloro-2-(furan-2-ylmethyl)-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78203199
7-chloro-1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74571054
7-chloro-1-(2-fluorophenyl)-2-(3-morpholin-4-ylpropyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78264687
2-benzyl-7-fluoro-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74694728
7-chloro-1-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73262430
7-methyl-2-(2-morpholin-4-ylethyl)-1-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73262431
2-(furan-2-ylmethyl)-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78203170
7-methyl-2-(2-morpholin-4-ylethyl)-1-(4-prop-2-enoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74571064
methyl 4-[2-(2-morpholin-4-ylethyl)-3,9-dioxo-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 78256669
6-methoxy-1-(4-methylphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73263751

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-morpholin-4-ylethyl)-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-2-(2-morpholin-4-ylethyl)-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 74570962) is 7-chloro-2-(2-morpholin-4-ylethyl)-1-pyridin-3-yl-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-(2-morpholin-4-ylethyl)-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-2-(2-morpholin-4-ylethyl)-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1C2=C(OC3CCC(Cl)CC13)C(=O)N(CCN1CCOCC1)C2c1cccnc1.
What is the InChIKey of 7-chloro-2-(2-morpholin-4-ylethyl)-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is DNPKXNKDIOODPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4/c23-15-3-4-17-16(12-15)20(27)18-19(14-2-1-5-24-13-14)26(22(28)21(18)30-17)7-6-25-8-10-29-11-9-25/h1-2,5,13,15-17,19H,3-4,6-12H2.
What are the key properties of 7-chloro-2-(2-morpholin-4-ylethyl)-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-2-(2-morpholin-4-ylethyl)-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 431.92 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-morpholin-4-ylethyl)-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 74570962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).