N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide

C22H23N5O4 — CID 6723497

IUPACN-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)Nc1ccc(N2CCOCC2)cc1)c1cnc2ccccc2n1
InChIInChI=1S/C22H23N5O4/c28-14-20(26-21(29)19-13-23-17-3-1-2-4-18(17)25-19)22(30)24-15-5-7-16(8-6-15)27-9-11-31-12-10-27/h1-8,13,20,28H,9-12,14H2,(H,24,30)(H,26,29)/t20-/m0/s1
InChIKeyMNGCDTCIACDUOV-FQEVSTJZSA-N
MW421.46 g/mol
LogP1.20
Rot. Bonds6

About N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide

N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide (PubChem CID 6723497) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
PubChem CID6723497
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC NameN-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)Nc1ccc(N2CCOCC2)cc1)c1cnc2ccccc2n1
InChIInChI=1S/C22H23N5O4/c28-14-20(26-21(29)19-13-23-17-3-1-2-4-18(17)25-19)22(30)24-15-5-7-16(8-6-15)27-9-11-31-12-10-27/h1-8,13,20,28H,9-12,14H2,(H,24,30)(H,26,29)/t20-/m0/s1
InChIKeyMNGCDTCIACDUOV-FQEVSTJZSA-N
XLogP1.20
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide
CID 4228233
N-[3-hydroxy-1-(morpholin-4-ylamino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 3494740
N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide
CID 6723510
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 6724682
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide
CID 6723845
2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide
CID 4170146
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794162
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722855
N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-2-carboxamide
CID 6723977
5-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184886
N-(4-hydroxy-3-methylbutan-2-yl)quinoxaline-2-carboxamide
CID 115734850
3-amino-4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid
CID 64894969

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide (CID 6723497) is N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide is O=C(N[C@@H](CO)C(=O)Nc1ccc(N2CCOCC2)cc1)c1cnc2ccccc2n1.
What is the InChIKey of N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide?
The InChIKey is MNGCDTCIACDUOV-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23N5O4/c28-14-20(26-21(29)19-13-23-17-3-1-2-4-18(17)25-19)22(30)24-15-5-7-16(8-6-15)27-9-11-31-12-10-27/h1-8,13,20,28H,9-12,14H2,(H,24,30)(H,26,29)/t20-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide?
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 6723497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).