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

C23H29N3O4 — CID 73262431

IUPAC7-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
SMILESCC1CCC2OC3=C(C(=O)C2C1)C(c1ccccn1)N(CCN1CCOCC1)C3=O
InChIInChI=1S/C23H29N3O4/c1-15-5-6-18-16(14-15)21(27)19-20(17-4-2-3-7-24-17)26(23(28)22(19)30-18)9-8-25-10-12-29-13-11-25/h2-4,7,15-16,18,20H,5-6,8-14H2,1H3
InChIKeyNLZGXWVYNKTDJW-UHFFFAOYSA-N
MW411.50 g/mol
LogP1.96
Rot. Bonds4

About 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

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 (PubChem CID 73262431) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID73262431
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name7-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
SMILESCC1CCC2OC3=C(C(=O)C2C1)C(c1ccccn1)N(CCN1CCOCC1)C3=O
InChIInChI=1S/C23H29N3O4/c1-15-5-6-18-16(14-15)21(27)19-20(17-4-2-3-7-24-17)26(23(28)22(19)30-18)9-8-25-10-12-29-13-11-25/h2-4,7,15-16,18,20H,5-6,8-14H2,1H3
InChIKeyNLZGXWVYNKTDJW-UHFFFAOYSA-N
XLogP1.96
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

7-methyl-1,2-dipyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78371578
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
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-(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
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-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
1-(2-fluorophenyl)-6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73260488
7-methyl-2-pyridin-2-yl-1-pyridin-3-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78372607
1-(4-tert-butylphenyl)-7-methyl-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74720945
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-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73262430
1-(4-fluorophenyl)-2-(2-methoxyethyl)-7-methyl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74715953

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCC2OC3=C(C(=O)C2C1)C(c1ccccn1)N(CCN1CCOCC1)C3=O.
What is the InChIKey of 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?
The InChIKey is NLZGXWVYNKTDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-15-5-6-18-16(14-15)21(27)19-20(17-4-2-3-7-24-17)26(23(28)22(19)30-18)9-8-25-10-12-29-13-11-25/h2-4,7,15-16,18,20H,5-6,8-14H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 411.50 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 73262431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).