1-(4-chlorophenyl)-3-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]urea

C24H25ClFN3O — CID 138559370

IUPAC1-(4-chlorophenyl)-3-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]urea
SMILESC[C@@H](NC(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H25ClFN3O/c1-15(28-24(30)29-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H2,28,29,30)/t15-,16?,17?/m1/s1
InChIKeyAIVKPWOTSBPMEP-KLAILNCOSA-N
MW425.94 g/mol
LogP6.51
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]urea

1-(4-chlorophenyl)-3-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]urea (PubChem CID 138559370) has the molecular formula C24H25ClFN3O and a molecular weight of 425.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]urea
PubChem CID138559370
Molecular FormulaC24H25ClFN3O
Molecular Weight425.94 g/mol
Exact Mass425.17
IUPAC Name1-(4-chlorophenyl)-3-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]urea
SMILESC[C@@H](NC(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C24H25ClFN3O/c1-15(28-24(30)29-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H2,28,29,30)/t15-,16?,17?/m1/s1
InChIKeyAIVKPWOTSBPMEP-KLAILNCOSA-N
XLogP6.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.94
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-3-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]urea (CID 138559370) is 1-(4-chlorophenyl)-3-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]urea is C[C@@H](NC(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]urea?
The InChIKey is AIVKPWOTSBPMEP-KLAILNCOSA-N. The full InChI is InChI=1S/C24H25ClFN3O/c1-15(28-24(30)29-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H2,28,29,30)/t15-,16?,17?/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]urea?
1-(4-chlorophenyl)-3-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]urea has a molecular weight of 425.94 g/mol, XLogP of 6.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]urea is sourced from PubChem (CID 138559370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).