1-[8-(difluoromethoxy)quinolin-5-yl]-3-(3-imidazol-1-ylpropyl)urea

C17H17F2N5O2 — CID 60549695

IUPAC1-[8-(difluoromethoxy)quinolin-5-yl]-3-(3-imidazol-1-ylpropyl)urea
SMILESO=C(NCCCn1ccnc1)Nc1ccc(OC(F)F)c2ncccc12
InChIInChI=1S/C17H17F2N5O2/c18-16(19)26-14-5-4-13(12-3-1-6-21-15(12)14)23-17(25)22-7-2-9-24-10-8-20-11-24/h1,3-6,8,10-11,16H,2,7,9H2,(H2,22,23,25)
InChIKeyRPSDTKBTILLVQQ-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.24
Rot. Bonds7

About 1-[8-(difluoromethoxy)quinolin-5-yl]-3-(3-imidazol-1-ylpropyl)urea

1-[8-(difluoromethoxy)quinolin-5-yl]-3-(3-imidazol-1-ylpropyl)urea (PubChem CID 60549695) has the molecular formula C17H17F2N5O2 and a molecular weight of 361.35 g/mol. Its IUPAC name is 1-[8-(difluoromethoxy)quinolin-5-yl]-3-(3-imidazol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[8-(difluoromethoxy)quinolin-5-yl]-3-(3-imidazol-1-ylpropyl)urea
PubChem CID60549695
Molecular FormulaC17H17F2N5O2
Molecular Weight361.35 g/mol
Exact Mass361.14
IUPAC Name1-[8-(difluoromethoxy)quinolin-5-yl]-3-(3-imidazol-1-ylpropyl)urea
SMILESO=C(NCCCn1ccnc1)Nc1ccc(OC(F)F)c2ncccc12
InChIInChI=1S/C17H17F2N5O2/c18-16(19)26-14-5-4-13(12-3-1-6-21-15(12)14)23-17(25)22-7-2-9-24-10-8-20-11-24/h1,3-6,8,10-11,16H,2,7,9H2,(H2,22,23,25)
InChIKeyRPSDTKBTILLVQQ-UHFFFAOYSA-N
XLogP3.24
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[8-(difluoromethoxy)quinolin-5-yl]-1,1-diethylurea
CID 60554221
4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 51155757
1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea
CID 56823902
N-[8-(difluoromethoxy)quinolin-5-yl]-2-hydroxy-2-phenylacetamide
CID 111537177
1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 47032146
3-(2-imidazol-1-ylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743387
3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid
CID 122077436
(3S)-N-[8-(difluoromethoxy)quinolin-5-yl]-3-hydroxypiperidine-1-carboxamide
CID 95665624
1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea
CID 86788667
1-[[2-(difluoromethoxy)phenyl]methyl]-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 111865265
N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474998
1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea
CID 110492282

Frequently Asked Questions

What is the IUPAC name of 1-[8-(difluoromethoxy)quinolin-5-yl]-3-(3-imidazol-1-ylpropyl)urea?
The IUPAC name of 1-[8-(difluoromethoxy)quinolin-5-yl]-3-(3-imidazol-1-ylpropyl)urea (CID 60549695) is 1-[8-(difluoromethoxy)quinolin-5-yl]-3-(3-imidazol-1-ylpropyl)urea.
What is the SMILES notation for 1-[8-(difluoromethoxy)quinolin-5-yl]-3-(3-imidazol-1-ylpropyl)urea?
The canonical SMILES for 1-[8-(difluoromethoxy)quinolin-5-yl]-3-(3-imidazol-1-ylpropyl)urea is O=C(NCCCn1ccnc1)Nc1ccc(OC(F)F)c2ncccc12.
What is the InChIKey of 1-[8-(difluoromethoxy)quinolin-5-yl]-3-(3-imidazol-1-ylpropyl)urea?
The InChIKey is RPSDTKBTILLVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O2/c18-16(19)26-14-5-4-13(12-3-1-6-21-15(12)14)23-17(25)22-7-2-9-24-10-8-20-11-24/h1,3-6,8,10-11,16H,2,7,9H2,(H2,22,23,25).
What are the key properties of 1-[8-(difluoromethoxy)quinolin-5-yl]-3-(3-imidazol-1-ylpropyl)urea?
1-[8-(difluoromethoxy)quinolin-5-yl]-3-(3-imidazol-1-ylpropyl)urea has a molecular weight of 361.35 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(difluoromethoxy)quinolin-5-yl]-3-(3-imidazol-1-ylpropyl)urea is sourced from PubChem (CID 60549695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).