1-butyl-3-(2-quinolin-8-yloxyethyl)urea

C16H21N3O2 — CID 112975943

IUPAC1-butyl-3-(2-quinolin-8-yloxyethyl)urea
SMILESCCCCNC(=O)NCCOc1cccc2cccnc12
InChIInChI=1S/C16H21N3O2/c1-2-3-9-18-16(20)19-11-12-21-14-8-4-6-13-7-5-10-17-15(13)14/h4-8,10H,2-3,9,11-12H2,1H3,(H2,18,19,20)
InChIKeyQCFBQUURTFAKAW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.71
Rot. Bonds7

About 1-butyl-3-(2-quinolin-8-yloxyethyl)urea

1-butyl-3-(2-quinolin-8-yloxyethyl)urea (PubChem CID 112975943) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-butyl-3-(2-quinolin-8-yloxyethyl)urea.

Molecular Properties

Compound Name1-butyl-3-(2-quinolin-8-yloxyethyl)urea
PubChem CID112975943
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-butyl-3-(2-quinolin-8-yloxyethyl)urea
SMILESCCCCNC(=O)NCCOc1cccc2cccnc12
InChIInChI=1S/C16H21N3O2/c1-2-3-9-18-16(20)19-11-12-21-14-8-4-6-13-7-5-10-17-15(13)14/h4-8,10H,2-3,9,11-12H2,1H3,(H2,18,19,20)
InChIKeyQCFBQUURTFAKAW-UHFFFAOYSA-N
XLogP2.71
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975956
1-(2-ethylphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976035
1-[2-(2-methoxyphenyl)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975985
1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976064
1-[(4-chlorophenyl)methyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975973
1-(furan-2-ylmethyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112975963
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811
3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56534641
1-(3,4-dimethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976070
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
1-butyl-3-[2-(2,3-dimethoxyphenoxy)ethyl]urea
CID 112975433

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-quinolin-8-yloxyethyl)urea?
The IUPAC name of 1-butyl-3-(2-quinolin-8-yloxyethyl)urea (CID 112975943) is 1-butyl-3-(2-quinolin-8-yloxyethyl)urea.
What is the SMILES notation for 1-butyl-3-(2-quinolin-8-yloxyethyl)urea?
The canonical SMILES for 1-butyl-3-(2-quinolin-8-yloxyethyl)urea is CCCCNC(=O)NCCOc1cccc2cccnc12.
What is the InChIKey of 1-butyl-3-(2-quinolin-8-yloxyethyl)urea?
The InChIKey is QCFBQUURTFAKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-3-9-18-16(20)19-11-12-21-14-8-4-6-13-7-5-10-17-15(13)14/h4-8,10H,2-3,9,11-12H2,1H3,(H2,18,19,20).
What are the key properties of 1-butyl-3-(2-quinolin-8-yloxyethyl)urea?
1-butyl-3-(2-quinolin-8-yloxyethyl)urea has a molecular weight of 287.36 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-quinolin-8-yloxyethyl)urea is sourced from PubChem (CID 112975943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).