N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide

C22H21FN4O3 — CID 126145997

IUPACN-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESO=C(COc1cccc2cccnc12)N/N=C\c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C22H21FN4O3/c23-18-13-16(6-7-19(18)27-9-11-29-12-10-27)14-25-26-21(28)15-30-20-5-1-3-17-4-2-8-24-22(17)20/h1-8,13-14H,9-12,15H2,(H,26,28)/b25-14-
InChIKeyDLOKLLREIDHNLW-QFEZKATASA-N
MW408.43 g/mol
LogP2.74
Rot. Bonds6

About N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide

N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide (PubChem CID 126145997) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound NameN-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
PubChem CID126145997
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC NameN-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
SMILESO=C(COc1cccc2cccnc12)N/N=C\c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C22H21FN4O3/c23-18-13-16(6-7-19(18)27-9-11-29-12-10-27)14-25-26-21(28)15-30-20-5-1-3-17-4-2-8-24-22(17)20/h1-8,13-14H,9-12,15H2,(H,26,28)/b25-14-
InChIKeyDLOKLLREIDHNLW-QFEZKATASA-N
XLogP2.74
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(R)-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-2-(quinolin-8-yloxy)acetamide
CID 90241758
7-isoquinolin-4-yl-4H-1,4-benzoxazin-3-one
CID 44480386
2-(4-fluorophenoxy)-N'-(8-quinolinylmethylene)acetohydrazide
CID 6895257
2-(Quinolin-8-yloxy)acetamide
CID 753651
Kryptofix 5
CID 93310
N-[2-(quinolin-8-yloxy)ethyl]acetamide
CID 3104609
N-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide
CID 2451027
1-(3,5-Dimethylpiperidin-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone
CID 4879089
2-(4-methylphenoxy)-N'-(8-quinolinylmethylene)acetohydrazide
CID 6895235
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 6898634
(E)-N'-(2-hydroxybenzylidene)-2-(quinolin-8-yloxy)acetohydrazide
CID 135627845
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-8-yloxyethanone
CID 651089

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide?
The IUPAC name of N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide (CID 126145997) is N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide?
The canonical SMILES for N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide is O=C(COc1cccc2cccnc12)N/N=C\c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide?
The InChIKey is DLOKLLREIDHNLW-QFEZKATASA-N. The full InChI is InChI=1S/C22H21FN4O3/c23-18-13-16(6-7-19(18)27-9-11-29-12-10-27)14-25-26-21(28)15-30-20-5-1-3-17-4-2-8-24-22(17)20/h1-8,13-14H,9-12,15H2,(H,26,28)/b25-14-.
What are the key properties of N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide?
N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide has a molecular weight of 408.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 126145997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).