1-(4-chlorophenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea

C20H18ClFN4O — CID 53110693

IUPAC1-(4-chlorophenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cc(F)c2nc(N3CCCC3)ccc2c1
InChIInChI=1S/C20H18ClFN4O/c21-14-4-6-15(7-5-14)23-20(27)24-16-11-13-3-8-18(26-9-1-2-10-26)25-19(13)17(22)12-16/h3-8,11-12H,1-2,9-10H2,(H2,23,24,27)
InChIKeyKIPHPVQCYASBHO-UHFFFAOYSA-N
MW384.84 g/mol
LogP5.27
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea

1-(4-chlorophenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea (PubChem CID 53110693) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea
PubChem CID53110693
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC Name1-(4-chlorophenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cc(F)c2nc(N3CCCC3)ccc2c1
InChIInChI=1S/C20H18ClFN4O/c21-14-4-6-15(7-5-14)23-20(27)24-16-11-13-3-8-18(26-9-1-2-10-26)25-19(13)17(22)12-16/h3-8,11-12H,1-2,9-10H2,(H2,23,24,27)
InChIKeyKIPHPVQCYASBHO-UHFFFAOYSA-N
XLogP5.27
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.84
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-(8-fluoro-2-piperidin-1-ylquinolin-6-yl)urea
CID 53110758
1-(4-ethoxyphenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea
CID 53110709
1-(5-chloro-2-methoxyphenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea
CID 53110700
1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-propylurea
CID 53110728
1-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-3-[(4-methylphenyl)methyl]urea
CID 53110725
1-(3,4-dimethylphenyl)-3-(8-fluoro-2-morpholin-4-ylquinolin-6-yl)urea
CID 53110801
N-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)-2-methylbenzamide
CID 50830209
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-(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
ethyl (3R)-3-[(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)carbamoylamino]-3-phenylpropanoate
CID 95086537

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea (CID 53110693) is 1-(4-chlorophenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea is O=C(Nc1ccc(Cl)cc1)Nc1cc(F)c2nc(N3CCCC3)ccc2c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea?
The InChIKey is KIPHPVQCYASBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c21-14-4-6-15(7-5-14)23-20(27)24-16-11-13-3-8-18(26-9-1-2-10-26)25-19(13)17(22)12-16/h3-8,11-12H,1-2,9-10H2,(H2,23,24,27).
What are the key properties of 1-(4-chlorophenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea?
1-(4-chlorophenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea has a molecular weight of 384.84 g/mol, XLogP of 5.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(8-fluoro-2-pyrrolidin-1-ylquinolin-6-yl)urea is sourced from PubChem (CID 53110693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).