1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-propylurea

C17H21FN4O — CID 53110728

IUPAC1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(F)c2nc(N3CCCC3)ccc2c1
InChIInChI=1S/C17H21FN4O/c1-2-7-19-17(23)20-13-10-12-5-6-15(22-8-3-4-9-22)21-16(12)14(18)11-13/h5-6,10-11H,2-4,7-9H2,1H3,(H2,19,20,23)
InChIKeyJTYJHYJRNXSKIA-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.51
Rot. Bonds4

About 1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-propylurea

1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-propylurea (PubChem CID 53110728) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-propylurea.

Molecular Properties

Compound Name1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-propylurea
PubChem CID53110728
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(F)c2nc(N3CCCC3)ccc2c1
InChIInChI=1S/C17H21FN4O/c1-2-7-19-17(23)20-13-10-12-5-6-15(22-8-3-4-9-22)21-16(12)14(18)11-13/h5-6,10-11H,2-4,7-9H2,1H3,(H2,19,20,23)
InChIKeyJTYJHYJRNXSKIA-UHFFFAOYSA-N
XLogP3.51
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-[(4-methylphenyl)methyl]urea
CID 53110725
1-(4-ethoxyphenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea
CID 53110709
ethyl (2S)-2-[(8-fluoro-2-piperidin-1-ylquinolin-6-yl)carbamoylamino]propanoate
CID 95086547
ethyl 2-[(8-fluoro-2-piperidin-1-ylquinolin-6-yl)carbamoylamino]propanoate
CID 53110797
1-(4-chlorophenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea
CID 53110693
1-(3-chloro-4-fluorophenyl)-3-(8-fluoro-2-piperidin-1-ylquinolin-6-yl)urea
CID 53110758
N-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-2-methylbenzamide
CID 50830209
1-(5-chloro-2-methoxyphenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea
CID 53110700
ethyl (3R)-3-[(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)carbamoylamino]-3-phenylpropanoate
CID 95086537
1-(3,4-dimethylphenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea
CID 53110801
1-(3-bromophenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea
CID 53043861
1-(2-bromophenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea
CID 53110812

Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-propylurea?
The IUPAC name of 1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-propylurea (CID 53110728) is 1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-propylurea.
What is the SMILES notation for 1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-propylurea?
The canonical SMILES for 1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-propylurea is CCCNC(=O)Nc1cc(F)c2nc(N3CCCC3)ccc2c1.
What is the InChIKey of 1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-propylurea?
The InChIKey is JTYJHYJRNXSKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-2-7-19-17(23)20-13-10-12-5-6-15(22-8-3-4-9-22)21-16(12)14(18)11-13/h5-6,10-11H,2-4,7-9H2,1H3,(H2,19,20,23).
What are the key properties of 1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-propylurea?
1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-propylurea has a molecular weight of 316.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-propylurea is sourced from PubChem (CID 53110728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).