N-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide

C28H28N4O3 — CID 60601558

IUPACN-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide
SMILESCC(Nc1ccc(Oc2cccc3cccnc23)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C28H28N4O3/c1-20(28(33)31-23-7-11-24(12-8-23)32-16-18-34-19-17-32)30-22-9-13-25(14-10-22)35-26-6-2-4-21-5-3-15-29-27(21)26/h2-15,20,30H,16-19H2,1H3,(H,31,33)
InChIKeyHXRISIZUEHXYJM-UHFFFAOYSA-N
MW468.56 g/mol
LogP5.30
Rot. Bonds7

About N-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide

N-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide (PubChem CID 60601558) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide
PubChem CID60601558
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide
SMILESCC(Nc1ccc(Oc2cccc3cccnc23)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C28H28N4O3/c1-20(28(33)31-23-7-11-24(12-8-23)32-16-18-34-19-17-32)30-22-9-13-25(14-10-22)35-26-6-2-4-21-5-3-15-29-27(21)26/h2-15,20,30H,16-19H2,1H3,(H,31,33)
InChIKeyHXRISIZUEHXYJM-UHFFFAOYSA-N
XLogP5.30
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 55.30
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-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide
CID 60601662
(2S)-2-methylsulfonyl-N-(4-quinolin-8-yloxyphenyl)propanamide
CID 52519697
(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574
N-(4-morpholin-4-ylphenyl)-2-[(2-nitro-3-pyridinyl)oxy]propanamide
CID 42974842
(2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide
CID 95305079
2-[4-(1-benzofuran-2-yl)anilino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 42911722
8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide
CID 53302491
4-oxo-4-(4-quinolin-8-yloxyanilino)butanoic acid
CID 166181923
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 42974506
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
N-(4-morpholin-4-ylphenyl)-2-phenoxybenzamide
CID 8961117
(2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7928372

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide (CID 60601558) is N-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide is CC(Nc1ccc(Oc2cccc3cccnc23)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide?
The InChIKey is HXRISIZUEHXYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-20(28(33)31-23-7-11-24(12-8-23)32-16-18-34-19-17-32)30-22-9-13-25(14-10-22)35-26-6-2-4-21-5-3-15-29-27(21)26/h2-15,20,30H,16-19H2,1H3,(H,31,33).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide?
N-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide has a molecular weight of 468.56 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide is sourced from PubChem (CID 60601558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).