(4aR,5S)-N-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide

C25H36N4O3 — CID 93123087

IUPAC(4aR,5S)-N-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
SMILESO=C(NC1CCCCC1)[C@H]1Cc2ccccc2N2CCN(CC(=O)N3CCOCC3)C[C@@H]12
InChIInChI=1S/C25H36N4O3/c30-24(28-12-14-32-15-13-28)18-27-10-11-29-22-9-5-4-6-19(22)16-21(23(29)17-27)25(31)26-20-7-2-1-3-8-20/h4-6,9,20-21,23H,1-3,7-8,10-18H2,(H,26,31)/t21-,23-/m0/s1
InChIKeyGNGSQQRDFVJLAD-GMAHTHKFSA-N
MW440.59 g/mol
LogP1.66
Rot. Bonds4

About (4aR,5S)-N-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide

(4aR,5S)-N-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide (PubChem CID 93123087) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is (4aR,5S)-N-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide.

Molecular Properties

Compound Name(4aR,5S)-N-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
PubChem CID93123087
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Name(4aR,5S)-N-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
SMILESO=C(NC1CCCCC1)[C@H]1Cc2ccccc2N2CCN(CC(=O)N3CCOCC3)C[C@@H]12
InChIInChI=1S/C25H36N4O3/c30-24(28-12-14-32-15-13-28)18-27-10-11-29-22-9-5-4-6-19(22)16-21(23(29)17-27)25(31)26-20-7-2-1-3-8-20/h4-6,9,20-21,23H,1-3,7-8,10-18H2,(H,26,31)/t21-,23-/m0/s1
InChIKeyGNGSQQRDFVJLAD-GMAHTHKFSA-N
XLogP1.66
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4aR,5S)-N-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aS,5R)-N-cyclopropyl-9-methoxy-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93119678
(4aS,5R)-N-cyclopropyl-3-(2-morpholin-4-yl-2-oxoethyl)-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93119510
(4aS,5S)-N-(3-morpholin-4-ylpropyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93122894
(4aS,5R)-3-(2-morpholin-4-yl-2-oxoethyl)-N-(pyridin-3-ylmethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93118746
(4aS,5S)-3-(2-morpholin-4-yl-2-oxoethyl)-N-(pyridin-3-ylmethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93118745
(4aR,5S)-N-cyclopropyl-3-(2-phenoxyethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93118755
(4aR,5R)-9-methoxy-3-(2-morpholin-4-yl-2-oxoethyl)-N-(2-piperidin-1-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 100898948
(4aS,5R)-9-methoxy-3-(2-morpholin-4-yl-2-oxoethyl)-N-(2-phenylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93119679
(4aR,5R)-9-methoxy-3-(2-morpholin-4-yl-2-oxoethyl)-N-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 100897851
(4aS,5S)-3-benzyl-N-cyclohexyl-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 98624140
2-[(4aS,5R)-5-(pyrrolidine-1-carbonyl)-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl]-1-morpholin-4-ylethanone
CID 93123712
N-butan-2-yl-3-(2-morpholin-4-yl-2-oxoethyl)-8-(trifluoromethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 42801113

Frequently Asked Questions

What is the IUPAC name of (4aR,5S)-N-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide?
The IUPAC name of (4aR,5S)-N-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide (CID 93123087) is (4aR,5S)-N-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide.
What is the SMILES notation for (4aR,5S)-N-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide?
The canonical SMILES for (4aR,5S)-N-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide is O=C(NC1CCCCC1)[C@H]1Cc2ccccc2N2CCN(CC(=O)N3CCOCC3)C[C@@H]12.
What is the InChIKey of (4aR,5S)-N-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide?
The InChIKey is GNGSQQRDFVJLAD-GMAHTHKFSA-N. The full InChI is InChI=1S/C25H36N4O3/c30-24(28-12-14-32-15-13-28)18-27-10-11-29-22-9-5-4-6-19(22)16-21(23(29)17-27)25(31)26-20-7-2-1-3-8-20/h4-6,9,20-21,23H,1-3,7-8,10-18H2,(H,26,31)/t21-,23-/m0/s1.
What are the key properties of (4aR,5S)-N-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide?
(4aR,5S)-N-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,5S)-N-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide is sourced from PubChem (CID 93123087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).