1-(4-chlorophenyl)-3-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]urea

C25H28ClN3O2 — CID 138559378

IUPAC1-(4-chlorophenyl)-3-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]urea
SMILESCC[C@@H](NC(=O)Nc1ccc(Cl)cc1)C1CCC(Oc2ccnc3ccccc23)CC1
InChIInChI=1S/C25H28ClN3O2/c1-2-22(29-25(30)28-19-11-9-18(26)10-12-19)17-7-13-20(14-8-17)31-24-15-16-27-23-6-4-3-5-21(23)24/h3-6,9-12,15-17,20,22H,2,7-8,13-14H2,1H3,(H2,28,29,30)/t17?,20?,22-/m1/s1
InChIKeyRTRYEKUSQLDYLO-INXVGGANSA-N
MW437.97 g/mol
LogP6.43
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]urea

1-(4-chlorophenyl)-3-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]urea (PubChem CID 138559378) has the molecular formula C25H28ClN3O2 and a molecular weight of 437.97 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]urea
PubChem CID138559378
Molecular FormulaC25H28ClN3O2
Molecular Weight437.97 g/mol
Exact Mass437.19
IUPAC Name1-(4-chlorophenyl)-3-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]urea
SMILESCC[C@@H](NC(=O)Nc1ccc(Cl)cc1)C1CCC(Oc2ccnc3ccccc23)CC1
InChIInChI=1S/C25H28ClN3O2/c1-2-22(29-25(30)28-19-11-9-18(26)10-12-19)17-7-13-20(14-8-17)31-24-15-16-27-23-6-4-3-5-21(23)24/h3-6,9-12,15-17,20,22H,2,7-8,13-14H2,1H3,(H2,28,29,30)/t17?,20?,22-/m1/s1
InChIKeyRTRYEKUSQLDYLO-INXVGGANSA-N
XLogP6.43
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.97
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-3-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]urea with MolForge

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Related Compounds

4-(4-propan-2-ylcyclohexyl)oxyquinoline
CID 155416383
2-[(3aR,6aS)-5-quinolin-4-yloxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)acetamide
CID 155087668
4-chloro-N-[1-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propyl]benzamide
CID 121318779
N-(4-chlorophenyl)-6-quinolin-4-yloxy-2-azaspiro[3.3]heptane-2-carboxamide
CID 151847321
N-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide
CID 130219664
5-(4-methoxyphenyl)-N-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]-1,3,4-oxadiazol-2-amine
CID 166731298
4-chloro-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]ethyl]benzamide
CID 126703080
N-(4-methylphenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]butanamide
CID 166670791
3,4-difluoro-N-(4-quinolin-4-yloxycyclohexyl)benzamide
CID 72944084
2-[4-[(3-chloro-2-methyl-4-pyridinyl)oxy]cyclohexyl]-N-(4-chlorophenyl)prop-2-enamide
CID 175793077
4-cyano-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
CID 72944410
3-fluoro-N-[(4-quinolin-4-yloxycyclohexyl)methyl]benzamide
CID 72944200

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]urea (CID 138559378) is 1-(4-chlorophenyl)-3-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]urea is CC[C@@H](NC(=O)Nc1ccc(Cl)cc1)C1CCC(Oc2ccnc3ccccc23)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]urea?
The InChIKey is RTRYEKUSQLDYLO-INXVGGANSA-N. The full InChI is InChI=1S/C25H28ClN3O2/c1-2-22(29-25(30)28-19-11-9-18(26)10-12-19)17-7-13-20(14-8-17)31-24-15-16-27-23-6-4-3-5-21(23)24/h3-6,9-12,15-17,20,22H,2,7-8,13-14H2,1H3,(H2,28,29,30)/t17?,20?,22-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]urea?
1-(4-chlorophenyl)-3-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]urea has a molecular weight of 437.97 g/mol, XLogP of 6.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]urea is sourced from PubChem (CID 138559378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).