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

C23H24N4O4 — CID 4228233

IUPACN-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide
SMILESO=C(NC(CO)C(=O)Nc1ccc(N2CCOCC2)cc1)c1cnc2ccccc2c1
InChIInChI=1S/C23H24N4O4/c28-15-21(26-22(29)17-13-16-3-1-2-4-20(16)24-14-17)23(30)25-18-5-7-19(8-6-18)27-9-11-31-12-10-27/h1-8,13-14,21,28H,9-12,15H2,(H,25,30)(H,26,29)
InChIKeySUCDBGUTQVSJBZ-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.80
Rot. Bonds6

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

N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide (PubChem CID 4228233) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide
PubChem CID4228233
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide
SMILESO=C(NC(CO)C(=O)Nc1ccc(N2CCOCC2)cc1)c1cnc2ccccc2c1
InChIInChI=1S/C23H24N4O4/c28-15-21(26-22(29)17-13-16-3-1-2-4-20(16)24-14-17)23(30)25-18-5-7-19(8-6-18)27-9-11-31-12-10-27/h1-8,13-14,21,28H,9-12,15H2,(H,25,30)(H,26,29)
InChIKeySUCDBGUTQVSJBZ-UHFFFAOYSA-N
XLogP1.80
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 6723497
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methoxybenzamide
CID 6723845
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 6724682
2-hydroxy-N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-5-pyrrol-1-ylbenzamide
CID 4170146
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722855
N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide
CID 136547172
N-[3-hydroxy-1-(morpholin-4-ylamino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 3494740
N-(4-hydroxyphenyl)quinoline-3-carboxamide
CID 110489513
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794162
4-(azepan-1-yl)-N-quinolin-3-ylbenzamide
CID 66815489
4-tert-butyl-N-[(2S)-4-methylsulfanyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]benzamide
CID 25353454
4-(4-oxopiperidin-1-yl)-N-quinolin-3-ylbenzamide
CID 66815608

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide?
The IUPAC name of N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide (CID 4228233) is N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide.
What is the SMILES notation for N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide?
The canonical SMILES for N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide is O=C(NC(CO)C(=O)Nc1ccc(N2CCOCC2)cc1)c1cnc2ccccc2c1.
What is the InChIKey of N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide?
The InChIKey is SUCDBGUTQVSJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c28-15-21(26-22(29)17-13-16-3-1-2-4-20(16)24-14-17)23(30)25-18-5-7-19(8-6-18)27-9-11-31-12-10-27/h1-8,13-14,21,28H,9-12,15H2,(H,25,30)(H,26,29).
What are the key properties of N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide?
N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoline-3-carboxamide is sourced from PubChem (CID 4228233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).