N-(3,4-dimethoxyphenyl)-N'-quinolin-8-yloxamide

C19H17N3O4 — CID 24746898

IUPACN-(3,4-dimethoxyphenyl)-N'-quinolin-8-yloxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2cccc3cccnc23)cc1OC
InChIInChI=1S/C19H17N3O4/c1-25-15-9-8-13(11-16(15)26-2)21-18(23)19(24)22-14-7-3-5-12-6-4-10-20-17(12)14/h3-11H,1-2H3,(H,21,23)(H,22,24)
InChIKeyDTDXWNKBRPNJAO-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.83
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-N'-quinolin-8-yloxamide

N-(3,4-dimethoxyphenyl)-N'-quinolin-8-yloxamide (PubChem CID 24746898) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N'-quinolin-8-yloxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N'-quinolin-8-yloxamide
PubChem CID24746898
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-(3,4-dimethoxyphenyl)-N'-quinolin-8-yloxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2cccc3cccnc23)cc1OC
InChIInChI=1S/C19H17N3O4/c1-25-15-9-8-13(11-16(15)26-2)21-18(23)19(24)22-14-7-3-5-12-6-4-10-20-17(12)14/h3-11H,1-2H3,(H,21,23)(H,22,24)
InChIKeyDTDXWNKBRPNJAO-UHFFFAOYSA-N
XLogP2.83
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Primaquine
CID 4908
Primaquine Diphosphate
CID 6135
Sitamaquine
CID 42548
Quinocide
CID 68928
(+)-Primaquine
CID 3044369
6,7-Dimethoxy-3-phenylquinoxaline
CID 2049
6-Methoxy-8-quinolinamine
CID 7023
(-)-Primaquine
CID 3044368
N1-(6-Methoxy-8-quinolinyl)-N5-(1-methylethyl)-1,5-pentanediamine
CID 21558
6-Methoxy-8-[(3-aminopropyl)amino]-4-methyl-5-(3-trifluoromethylphenyloxy)quinoline
CID 16048421
Pamaquine
CID 10290
WR 242511
CID 133658

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N'-quinolin-8-yloxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N'-quinolin-8-yloxamide (CID 24746898) is N-(3,4-dimethoxyphenyl)-N'-quinolin-8-yloxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N'-quinolin-8-yloxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N'-quinolin-8-yloxamide is COc1ccc(NC(=O)C(=O)Nc2cccc3cccnc23)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N'-quinolin-8-yloxamide?
The InChIKey is DTDXWNKBRPNJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-25-15-9-8-13(11-16(15)26-2)21-18(23)19(24)22-14-7-3-5-12-6-4-10-20-17(12)14/h3-11H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-N'-quinolin-8-yloxamide?
N-(3,4-dimethoxyphenyl)-N'-quinolin-8-yloxamide has a molecular weight of 351.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N'-quinolin-8-yloxamide is sourced from PubChem (CID 24746898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).