N'-[5-(4-fluoroanilino)isoquinolin-8-yl]-N-(4-methylphenyl)oxamide

C24H19FN4O2 — CID 86963890

IUPACN'-[5-(4-fluoroanilino)isoquinolin-8-yl]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccc(Nc3ccc(F)cc3)c3ccncc23)cc1
InChIInChI=1S/C24H19FN4O2/c1-15-2-6-18(7-3-15)28-23(30)24(31)29-22-11-10-21(19-12-13-26-14-20(19)22)27-17-8-4-16(25)5-9-17/h2-14,27H,1H3,(H,28,30)(H,29,31)
InChIKeyHMFQDWYKNLTGKP-UHFFFAOYSA-N
MW414.44 g/mol
LogP5.00
Rot. Bonds4

About N'-[5-(4-fluoroanilino)isoquinolin-8-yl]-N-(4-methylphenyl)oxamide

N'-[5-(4-fluoroanilino)isoquinolin-8-yl]-N-(4-methylphenyl)oxamide (PubChem CID 86963890) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is N'-[5-(4-fluoroanilino)isoquinolin-8-yl]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[5-(4-fluoroanilino)isoquinolin-8-yl]-N-(4-methylphenyl)oxamide
PubChem CID86963890
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC NameN'-[5-(4-fluoroanilino)isoquinolin-8-yl]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccc(Nc3ccc(F)cc3)c3ccncc23)cc1
InChIInChI=1S/C24H19FN4O2/c1-15-2-6-18(7-3-15)28-23(30)24(31)29-22-11-10-21(19-12-13-26-14-20(19)22)27-17-8-4-16(25)5-9-17/h2-14,27H,1H3,(H,28,30)(H,29,31)
InChIKeyHMFQDWYKNLTGKP-UHFFFAOYSA-N
XLogP5.00
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.44
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(4-fluoroanilino)-4-pyridinyl]amino]-2-oxoacetic acid
CID 118961550
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281
N-(4-fluorophenyl)-N'-(2-methylphenyl)oxamide
CID 44998554
N-(4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110858696
N-(4-fluorophenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314014
N'-(4-fluorophenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11439538
2-(4-fluoroanilino)-5-methylbenzoic acid
CID 55222818
N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290130
5-N-(2,5-difluorophenyl)isoquinoline-5,8-diamine
CID 43448757
5-N-(4-ethylphenyl)isoquinoline-5,8-diamine
CID 43448787
8-N-(4-ethylphenyl)isoquinoline-5,8-diamine
CID 103137089
3-N-(4-methylphenyl)pyridine-3,4-diamine
CID 13441291

Frequently Asked Questions

What is the IUPAC name of N'-[5-(4-fluoroanilino)isoquinolin-8-yl]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[5-(4-fluoroanilino)isoquinolin-8-yl]-N-(4-methylphenyl)oxamide (CID 86963890) is N'-[5-(4-fluoroanilino)isoquinolin-8-yl]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[5-(4-fluoroanilino)isoquinolin-8-yl]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[5-(4-fluoroanilino)isoquinolin-8-yl]-N-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)Nc2ccc(Nc3ccc(F)cc3)c3ccncc23)cc1.
What is the InChIKey of N'-[5-(4-fluoroanilino)isoquinolin-8-yl]-N-(4-methylphenyl)oxamide?
The InChIKey is HMFQDWYKNLTGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c1-15-2-6-18(7-3-15)28-23(30)24(31)29-22-11-10-21(19-12-13-26-14-20(19)22)27-17-8-4-16(25)5-9-17/h2-14,27H,1H3,(H,28,30)(H,29,31).
What are the key properties of N'-[5-(4-fluoroanilino)isoquinolin-8-yl]-N-(4-methylphenyl)oxamide?
N'-[5-(4-fluoroanilino)isoquinolin-8-yl]-N-(4-methylphenyl)oxamide has a molecular weight of 414.44 g/mol, XLogP of 5.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(4-fluoroanilino)isoquinolin-8-yl]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 86963890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).