1-hydroxy-1-[(E)-4-(3-quinolin-5-yloxyfuran-2-yl)but-3-en-2-yl]urea

C18H17N3O4 — CID 19807281

IUPAC1-hydroxy-1-[(E)-4-(3-quinolin-5-yloxyfuran-2-yl)but-3-en-2-yl]urea
SMILESCC(/C=C/c1occc1Oc1cccc2ncccc12)N(O)C(N)=O
InChIInChI=1S/C18H17N3O4/c1-12(21(23)18(19)22)7-8-16-17(9-11-24-16)25-15-6-2-5-14-13(15)4-3-10-20-14/h2-12,23H,1H3,(H2,19,22)/b8-7+
InChIKeyTVVMJMANFDTSBW-BQYQJAHWSA-N
MW339.35 g/mol
LogP3.79
Rot. Bonds5

About 1-hydroxy-1-[(E)-4-(3-quinolin-5-yloxyfuran-2-yl)but-3-en-2-yl]urea

1-hydroxy-1-[(E)-4-(3-quinolin-5-yloxyfuran-2-yl)but-3-en-2-yl]urea (PubChem CID 19807281) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1-hydroxy-1-[(E)-4-(3-quinolin-5-yloxyfuran-2-yl)but-3-en-2-yl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[(E)-4-(3-quinolin-5-yloxyfuran-2-yl)but-3-en-2-yl]urea
PubChem CID19807281
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name1-hydroxy-1-[(E)-4-(3-quinolin-5-yloxyfuran-2-yl)but-3-en-2-yl]urea
SMILESCC(/C=C/c1occc1Oc1cccc2ncccc12)N(O)C(N)=O
InChIInChI=1S/C18H17N3O4/c1-12(21(23)18(19)22)7-8-16-17(9-11-24-16)25-15-6-2-5-14-13(15)4-3-10-20-14/h2-12,23H,1H3,(H2,19,22)/b8-7+
InChIKeyTVVMJMANFDTSBW-BQYQJAHWSA-N
XLogP3.79
TPSA101.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[(E)-4-(3-quinolin-5-yloxyfuran-2-yl)but-3-en-2-yl]urea?
The IUPAC name of 1-hydroxy-1-[(E)-4-(3-quinolin-5-yloxyfuran-2-yl)but-3-en-2-yl]urea (CID 19807281) is 1-hydroxy-1-[(E)-4-(3-quinolin-5-yloxyfuran-2-yl)but-3-en-2-yl]urea.
What is the SMILES notation for 1-hydroxy-1-[(E)-4-(3-quinolin-5-yloxyfuran-2-yl)but-3-en-2-yl]urea?
The canonical SMILES for 1-hydroxy-1-[(E)-4-(3-quinolin-5-yloxyfuran-2-yl)but-3-en-2-yl]urea is CC(/C=C/c1occc1Oc1cccc2ncccc12)N(O)C(N)=O.
What is the InChIKey of 1-hydroxy-1-[(E)-4-(3-quinolin-5-yloxyfuran-2-yl)but-3-en-2-yl]urea?
The InChIKey is TVVMJMANFDTSBW-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-12(21(23)18(19)22)7-8-16-17(9-11-24-16)25-15-6-2-5-14-13(15)4-3-10-20-14/h2-12,23H,1H3,(H2,19,22)/b8-7+.
What are the key properties of 1-hydroxy-1-[(E)-4-(3-quinolin-5-yloxyfuran-2-yl)but-3-en-2-yl]urea?
1-hydroxy-1-[(E)-4-(3-quinolin-5-yloxyfuran-2-yl)but-3-en-2-yl]urea has a molecular weight of 339.35 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[(E)-4-(3-quinolin-5-yloxyfuran-2-yl)but-3-en-2-yl]urea is sourced from PubChem (CID 19807281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).