N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C26H33N3O5 — CID 16615520

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C26H33N3O5/c1-3-33-23-17-22(29-11-13-32-14-12-29)24(34-4-2)16-21(23)27-25(30)10-9-19-15-18-7-5-6-8-20(18)28-26(19)31/h5-8,16-17,19H,3-4,9-15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyYXTNUVRDSALPLJ-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.85
Rot. Bonds9

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 16615520) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID16615520
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C26H33N3O5/c1-3-33-23-17-22(29-11-13-32-14-12-29)24(34-4-2)16-21(23)27-25(30)10-9-19-15-18-7-5-6-8-20(18)28-26(19)31/h5-8,16-17,19H,3-4,9-15H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyYXTNUVRDSALPLJ-UHFFFAOYSA-N
XLogP3.85
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 25333292
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 18209443
N-(5-morpholin-4-yl-2-pyridinyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 42943283
N-(2-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615477
N-[3-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 26717033
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 25392373
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26663462
4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide
CID 26664489
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615604
2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 4877971
2-O-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506026

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 16615520) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCC1Cc2ccccc2NC1=O.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is YXTNUVRDSALPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-3-33-23-17-22(29-11-13-32-14-12-29)24(34-4-2)16-21(23)27-25(30)10-9-19-15-18-7-5-6-8-20(18)28-26(19)31/h5-8,16-17,19H,3-4,9-15H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 467.57 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 16615520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).