(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

C23H32N4O4 — CID 93119678

IUPAC(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
SMILESCOc1ccc2c(c1)N1CCN(CC(=O)N3CCOCC3)C[C@@H]1[C@H](C(=O)NC1CC1)C2
InChIInChI=1S/C23H32N4O4/c1-30-18-5-2-16-12-19(23(29)24-17-3-4-17)21-14-25(6-7-27(21)20(16)13-18)15-22(28)26-8-10-31-11-9-26/h2,5,13,17,19,21H,3-4,6-12,14-15H2,1H3,(H,24,29)/t19-,21-/m1/s1
InChIKeyVEHPQOOHAVCFHD-TZIWHRDSSA-N
MW428.53 g/mol
LogP0.50
Rot. Bonds5

About (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

(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 (PubChem CID 93119678) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID93119678
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name(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
SMILESCOc1ccc2c(c1)N1CCN(CC(=O)N3CCOCC3)C[C@@H]1[C@H](C(=O)NC1CC1)C2
InChIInChI=1S/C23H32N4O4/c1-30-18-5-2-16-12-19(23(29)24-17-3-4-17)21-14-25(6-7-27(21)20(16)13-18)15-22(28)26-8-10-31-11-9-26/h2,5,13,17,19,21H,3-4,6-12,14-15H2,1H3,(H,24,29)/t19-,21-/m1/s1
InChIKeyVEHPQOOHAVCFHD-TZIWHRDSSA-N
XLogP0.50
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

(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
(4aR,5S)-9-methoxy-3-(2-morpholin-4-yl-2-oxoethyl)-N-(pyridin-4-ylmethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 100897843
(4aS,5R)-9-methoxy-3-(2-morpholin-4-yl-2-oxoethyl)-N-(pyridin-4-ylmethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93119666
(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,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
(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
(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
(4aR,5R)-N-cyclopropyl-9-methoxy-3-(4-methylphenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 129427391
N-cyclohexyl-9-methoxy-3-(4-methoxyphenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 42804777
(4aR,5R)-N-cyclohexyl-3-(4-fluorophenyl)-9-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 100898820
(4aS,5R)-N-cyclohexyl-3-(4-fluorophenyl)-9-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93125480
(4aS,5R)-3-[(4-fluorophenyl)methyl]-9-methoxy-N-(2-morpholin-4-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide
CID 93125512

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc2c(c1)N1CCN(CC(=O)N3CCOCC3)C[C@@H]1[C@H](C(=O)NC1CC1)C2.
What is the InChIKey of (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?
The InChIKey is VEHPQOOHAVCFHD-TZIWHRDSSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-30-18-5-2-16-12-19(23(29)24-17-3-4-17)21-14-25(6-7-27(21)20(16)13-18)15-22(28)26-8-10-31-11-9-26/h2,5,13,17,19,21H,3-4,6-12,14-15H2,1H3,(H,24,29)/t19-,21-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 428.53 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 93119678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).