1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea

C23H21FN4O — CID 121332539

IUPAC1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea
SMILESN#Cc1ccc(NC(=O)NC2CCC(c3ccnc4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C23H21FN4O/c24-17-5-10-22-21(13-17)20(11-12-26-22)16-3-8-19(9-4-16)28-23(29)27-18-6-1-15(14-25)2-7-18/h1-2,5-7,10-13,16,19H,3-4,8-9H2,(H2,27,28,29)
InChIKeyZHKIIRSWEAVDAF-UHFFFAOYSA-N
MW388.45 g/mol
LogP5.09
Rot. Bonds3

About 1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea

1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea (PubChem CID 121332539) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea
PubChem CID121332539
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Name1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea
SMILESN#Cc1ccc(NC(=O)NC2CCC(c3ccnc4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C23H21FN4O/c24-17-5-10-22-21(13-17)20(11-12-26-22)16-3-8-19(9-4-16)28-23(29)27-18-6-1-15(14-25)2-7-18/h1-2,5-7,10-13,16,19H,3-4,8-9H2,(H2,27,28,29)
InChIKeyZHKIIRSWEAVDAF-UHFFFAOYSA-N
XLogP5.09
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-2-phenylacetamide
CID 121329944
4-cyano-N-[1-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]cyclopropyl]benzamide
CID 154646247
2-[4-[3-(4-cyanoanilino)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]-3-oxopropyl]phenyl]propanoic acid
CID 121333246
4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide
CID 121329957
4-cyano-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]-N'-(2-hydroxyethyl)benzohydrazide
CID 155683140
4-cyano-N'-(cyanomethyl)-N'-[[4-(6-fluoroquinolin-4-yl)cyclohexyl]methyl]benzohydrazide
CID 155683150
1-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 121318776
4-(4-cyclopropylcyclohexyl)-6-fluoroquinoline
CID 154996564
(3S)-N-(4-cyclopropylphenyl)-7-(6-fluoroquinolin-4-yl)spiro[3.5]nonane-3-carboxamide
CID 138577029
4-cyano-N-[[5-(6-fluoroquinolin-4-yl)oxan-2-yl]methyl]benzohydrazide
CID 175084612
N-(4-fluorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
CID 155221367
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea?
The IUPAC name of 1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea (CID 121332539) is 1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea is N#Cc1ccc(NC(=O)NC2CCC(c3ccnc4ccc(F)cc34)CC2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea?
The InChIKey is ZHKIIRSWEAVDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c24-17-5-10-22-21(13-17)20(11-12-26-22)16-3-8-19(9-4-16)28-23(29)27-18-6-1-15(14-25)2-7-18/h1-2,5-7,10-13,16,19H,3-4,8-9H2,(H2,27,28,29).
What are the key properties of 1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea?
1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea has a molecular weight of 388.45 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]urea is sourced from PubChem (CID 121332539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).