N-(furan-2-ylmethyl)-N'-quinolin-3-yloxamide

C16H13N3O3 — CID 10708979

IUPACN-(furan-2-ylmethyl)-N'-quinolin-3-yloxamide
SMILESO=C(NCc1ccco1)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H13N3O3/c20-15(18-10-13-5-3-7-22-13)16(21)19-12-8-11-4-1-2-6-14(11)17-9-12/h1-9H,10H2,(H,18,20)(H,19,21)
InChIKeyAFBZLAIGJXMEPV-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.08
Rot. Bonds3

About N-(furan-2-ylmethyl)-N'-quinolin-3-yloxamide

N-(furan-2-ylmethyl)-N'-quinolin-3-yloxamide (PubChem CID 10708979) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-quinolin-3-yloxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-quinolin-3-yloxamide
PubChem CID10708979
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-(furan-2-ylmethyl)-N'-quinolin-3-yloxamide
SMILESO=C(NCc1ccco1)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H13N3O3/c20-15(18-10-13-5-3-7-22-13)16(21)19-12-8-11-4-1-2-6-14(11)17-9-12/h1-9H,10H2,(H,18,20)(H,19,21)
InChIKeyAFBZLAIGJXMEPV-UHFFFAOYSA-N
XLogP2.08
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide
CID 47224195
N'-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)oxamide
CID 3148860
N-(furan-2-ylmethyl)-N'-(1H-indol-6-yl)oxamide
CID 39336216
N-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide
CID 86996645
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide
CID 3154022
N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2985453
N-(furan-2-ylmethyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 44997648
N'-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)oxamide
CID 10806239
N-(furan-2-ylmethyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 45492489
N'-[(1S)-1-(2-hydroxyphenyl)propyl]-N-quinolin-3-yloxamide
CID 95622531
ethyl 4-[[2-(furan-2-ylmethylamino)-2-oxoacetyl]amino]benzoate
CID 3122901
1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea
CID 175700632

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-quinolin-3-yloxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-quinolin-3-yloxamide (CID 10708979) is N-(furan-2-ylmethyl)-N'-quinolin-3-yloxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-quinolin-3-yloxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-quinolin-3-yloxamide is O=C(NCc1ccco1)C(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-quinolin-3-yloxamide?
The InChIKey is AFBZLAIGJXMEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-15(18-10-13-5-3-7-22-13)16(21)19-12-8-11-4-1-2-6-14(11)17-9-12/h1-9H,10H2,(H,18,20)(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-N'-quinolin-3-yloxamide?
N-(furan-2-ylmethyl)-N'-quinolin-3-yloxamide has a molecular weight of 295.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-quinolin-3-yloxamide is sourced from PubChem (CID 10708979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).