1-(2,4-dichlorophenyl)-N-(8-propoxyquinolin-5-yl)cyclohexane-1-carboxamide

C25H26Cl2N2O2 — CID 100771786

IUPAC1-(2,4-dichlorophenyl)-N-(8-propoxyquinolin-5-yl)cyclohexane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c2cccnc12
InChIInChI=1S/C25H26Cl2N2O2/c1-2-15-31-22-11-10-21(18-7-6-14-28-23(18)22)29-24(30)25(12-4-3-5-13-25)19-9-8-17(26)16-20(19)27/h6-11,14,16H,2-5,12-13,15H2,1H3,(H,29,30)
InChIKeyAQDWMSJWNUDKAL-UHFFFAOYSA-N
MW457.40 g/mol
LogP7.17
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-N-(8-propoxyquinolin-5-yl)cyclohexane-1-carboxamide

1-(2,4-dichlorophenyl)-N-(8-propoxyquinolin-5-yl)cyclohexane-1-carboxamide (PubChem CID 100771786) has the molecular formula C25H26Cl2N2O2 and a molecular weight of 457.40 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(8-propoxyquinolin-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(8-propoxyquinolin-5-yl)cyclohexane-1-carboxamide
PubChem CID100771786
Molecular FormulaC25H26Cl2N2O2
Molecular Weight457.40 g/mol
Exact Mass456.14
IUPAC Name1-(2,4-dichlorophenyl)-N-(8-propoxyquinolin-5-yl)cyclohexane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c2cccnc12
InChIInChI=1S/C25H26Cl2N2O2/c1-2-15-31-22-11-10-21(18-7-6-14-28-23(18)22)29-24(30)25(12-4-3-5-13-25)19-9-8-17(26)16-20(19)27/h6-11,14,16H,2-5,12-13,15H2,1H3,(H,29,30)
InChIKeyAQDWMSJWNUDKAL-UHFFFAOYSA-N
XLogP7.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.40
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(8-ethoxyquinolin-5-yl)cyclopentane-1-carboxamide
CID 100770049
4-(4-chlorophenyl)-N-(8-propoxyquinolin-5-yl)oxane-4-carboxamide
CID 100772965
1-(2,4-dichlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771719
1-(2,4-dichlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100747375
N-(8-methoxyquinolin-5-yl)-1-phenylcyclohexane-1-carboxamide
CID 100770558
2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100773580
N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100668194
1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide
CID 100770996
1-(2-chlorophenyl)-N-(2-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100770113
N-(4-butoxy-3-cyanophenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100743841
1-(2,4-dichlorophenyl)-N-(4-ethoxy-3,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 100668010
ethyl 2-butoxy-5-[[1-(2,4-dichlorophenyl)cyclopentanecarbonyl]amino]benzoate
CID 100743761

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(8-propoxyquinolin-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(8-propoxyquinolin-5-yl)cyclohexane-1-carboxamide (CID 100771786) is 1-(2,4-dichlorophenyl)-N-(8-propoxyquinolin-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(8-propoxyquinolin-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(8-propoxyquinolin-5-yl)cyclohexane-1-carboxamide is CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c2cccnc12.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(8-propoxyquinolin-5-yl)cyclohexane-1-carboxamide?
The InChIKey is AQDWMSJWNUDKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N2O2/c1-2-15-31-22-11-10-21(18-7-6-14-28-23(18)22)29-24(30)25(12-4-3-5-13-25)19-9-8-17(26)16-20(19)27/h6-11,14,16H,2-5,12-13,15H2,1H3,(H,29,30).
What are the key properties of 1-(2,4-dichlorophenyl)-N-(8-propoxyquinolin-5-yl)cyclohexane-1-carboxamide?
1-(2,4-dichlorophenyl)-N-(8-propoxyquinolin-5-yl)cyclohexane-1-carboxamide has a molecular weight of 457.40 g/mol, XLogP of 7.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(8-propoxyquinolin-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100771786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).