N-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide

C19H19N3O4 — CID 86996645

IUPACN-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide
SMILESO=C(NCCCOCc1ccco1)C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C19H19N3O4/c23-18(21-9-3-10-25-13-16-5-2-11-26-16)19(24)22-15-6-7-17-14(12-15)4-1-8-20-17/h1-2,4-8,11-12H,3,9-10,13H2,(H,21,23)(H,22,24)
InChIKeyLAMHDQNXFKNVDT-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.49
Rot. Bonds7

About N-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide

N-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide (PubChem CID 86996645) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide
PubChem CID86996645
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide
SMILESO=C(NCCCOCc1ccco1)C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C19H19N3O4/c23-18(21-9-3-10-25-13-16-5-2-11-26-16)19(24)22-15-6-7-17-14(12-15)4-1-8-20-17/h1-2,4-8,11-12H,3,9-10,13H2,(H,21,23)(H,22,24)
InChIKeyLAMHDQNXFKNVDT-UHFFFAOYSA-N
XLogP2.49
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(furan-2-ylmethoxy)propyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 86996641
N'-(2,4-difluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide
CID 86996640
N-[3-(furan-2-ylmethoxy)propyl]quinoline-8-carboxamide
CID 51296890
1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea
CID 47126067
N-(cyanomethyl)-N'-quinolin-6-yloxamide
CID 62634263
N-(furan-2-ylmethyl)-N'-quinolin-3-yloxamide
CID 10708979
2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
2-(dimethylamino)-N-[3-(furan-2-ylmethoxy)propyl]pyridine-3-carboxamide
CID 87038703
N'-(2-cyclopentyloxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]oxamide
CID 87039475
1-[3-(furan-2-ylmethoxy)propyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 47050444
N-[3-(furan-2-ylmethoxy)propyl]-6-methoxyquinoline-2-carboxamide
CID 78833071
N-[3-[2-[3-(furan-2-ylmethoxy)propylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 86930220

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide (CID 86996645) is N-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide is O=C(NCCCOCc1ccco1)C(=O)Nc1ccc2ncccc2c1.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide?
The InChIKey is LAMHDQNXFKNVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-18(21-9-3-10-25-13-16-5-2-11-26-16)19(24)22-15-6-7-17-14(12-15)4-1-8-20-17/h1-2,4-8,11-12H,3,9-10,13H2,(H,21,23)(H,22,24).
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide?
N-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide has a molecular weight of 353.38 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]-N'-quinolin-6-yloxamide is sourced from PubChem (CID 86996645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).