1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea

C20H18FN3O — CID 113214406

IUPAC1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)Nc1cccc2cccnc12
InChIInChI=1S/C20H18FN3O/c21-16-8-6-15(7-9-16)20(10-11-20)13-23-19(25)24-17-5-1-3-14-4-2-12-22-18(14)17/h1-9,12H,10-11,13H2,(H2,23,24,25)
InChIKeyQCWUYXYTGLTHKK-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.23
Rot. Bonds4

About 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea

1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea (PubChem CID 113214406) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
PubChem CID113214406
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)Nc1cccc2cccnc12
InChIInChI=1S/C20H18FN3O/c21-16-8-6-15(7-9-16)20(10-11-20)13-23-19(25)24-17-5-1-3-14-4-2-12-22-18(14)17/h1-9,12H,10-11,13H2,(H2,23,24,25)
InChIKeyQCWUYXYTGLTHKK-UHFFFAOYSA-N
XLogP4.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
CID 113214114
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
CID 113214552
1-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
CID 113214884
2-[1-(4-fluorophenyl)cyclobutyl]-N-quinolin-8-ylacetamide
CID 132572979
1-N-[2-(4-fluorophenyl)ethyl]-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108977537
1-propyl-3-quinolin-8-ylurea
CID 13078451
1-[2-(2-fluorophenoxy)ethyl]-3-quinolin-8-ylurea
CID 112970303
2-(4-fluorophenoxy)-N-quinolin-8-ylacetamide
CID 17443973
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
1-(furan-3-ylmethyl)-3-quinolin-8-ylurea
CID 47219536
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea?
The IUPAC name of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea (CID 113214406) is 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea?
The canonical SMILES for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea is O=C(NCC1(c2ccc(F)cc2)CC1)Nc1cccc2cccnc12.
What is the InChIKey of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea?
The InChIKey is QCWUYXYTGLTHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-16-8-6-15(7-9-16)20(10-11-20)13-23-19(25)24-17-5-1-3-14-4-2-12-22-18(14)17/h1-9,12H,10-11,13H2,(H2,23,24,25).
What are the key properties of 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea?
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea has a molecular weight of 335.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea is sourced from PubChem (CID 113214406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).