N-(1H-indazol-6-yl)-N'-quinolin-8-yloxamide

C18H13N5O2 — CID 108530108

IUPACN-(1H-indazol-6-yl)-N'-quinolin-8-yloxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C18H13N5O2/c24-17(21-13-7-6-12-10-20-23-15(12)9-13)18(25)22-14-5-1-3-11-4-2-8-19-16(11)14/h1-10H,(H,20,23)(H,21,24)(H,22,25)
InChIKeyKHZDDXXOJINZRE-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.69
Rot. Bonds2

About N-(1H-indazol-6-yl)-N'-quinolin-8-yloxamide

N-(1H-indazol-6-yl)-N'-quinolin-8-yloxamide (PubChem CID 108530108) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-N'-quinolin-8-yloxamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-N'-quinolin-8-yloxamide
PubChem CID108530108
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC NameN-(1H-indazol-6-yl)-N'-quinolin-8-yloxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C18H13N5O2/c24-17(21-13-7-6-12-10-20-23-15(12)9-13)18(25)22-14-5-1-3-11-4-2-8-19-16(11)14/h1-10H,(H,20,23)(H,21,24)(H,22,25)
InChIKeyKHZDDXXOJINZRE-UHFFFAOYSA-N
XLogP2.69
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.69
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

N-(1H-indazol-6-yl)-N'-pyrimidin-2-yloxamide
CID 108520740
N-(3H-benzimidazol-5-yl)-N'-quinolin-8-yloxamide
CID 108529264
N'-(2-bromophenyl)-N-(1H-indazol-6-yl)oxamide
CID 108530119
N-(1H-indazol-6-yl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 108530138
N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108529059
N-(3-chloro-4-fluorophenyl)-N'-quinolin-8-yloxamide
CID 108530535
N-(1H-indazol-6-yl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108520045
N-(3-methylsulfanylphenyl)-N'-quinolin-8-yloxamide
CID 108520162
N-(quinolin-8-ylmethyl)-1H-indazol-6-amine
CID 43743373
N-ethyl-N'-(1H-indazol-6-yl)oxamide
CID 108521463
N-[4-(diethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108530092
N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide
CID 108519482

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-N'-quinolin-8-yloxamide?
The IUPAC name of N-(1H-indazol-6-yl)-N'-quinolin-8-yloxamide (CID 108530108) is N-(1H-indazol-6-yl)-N'-quinolin-8-yloxamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-N'-quinolin-8-yloxamide?
The canonical SMILES for N-(1H-indazol-6-yl)-N'-quinolin-8-yloxamide is O=C(Nc1ccc2cn[nH]c2c1)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of N-(1H-indazol-6-yl)-N'-quinolin-8-yloxamide?
The InChIKey is KHZDDXXOJINZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c24-17(21-13-7-6-12-10-20-23-15(12)9-13)18(25)22-14-5-1-3-11-4-2-8-19-16(11)14/h1-10H,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-(1H-indazol-6-yl)-N'-quinolin-8-yloxamide?
N-(1H-indazol-6-yl)-N'-quinolin-8-yloxamide has a molecular weight of 331.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-N'-quinolin-8-yloxamide is sourced from PubChem (CID 108530108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).