2-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]acetamide

C25H28Cl2N4O — CID 23026580

IUPAC2-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]acetamide
SMILESCN(C)c1cc(NC2CCC(NC(=O)Cc3ccc(Cl)c(Cl)c3)CC2)nc2ccccc12
InChIInChI=1S/C25H28Cl2N4O/c1-31(2)23-15-24(30-22-6-4-3-5-19(22)23)28-17-8-10-18(11-9-17)29-25(32)14-16-7-12-20(26)21(27)13-16/h3-7,12-13,15,17-18H,8-11,14H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyFHLQVQAMRJUNPT-UHFFFAOYSA-N
MW471.43 g/mol
LogP5.69
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]acetamide

2-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]acetamide (PubChem CID 23026580) has the molecular formula C25H28Cl2N4O and a molecular weight of 471.43 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]acetamide
PubChem CID23026580
Molecular FormulaC25H28Cl2N4O
Molecular Weight471.43 g/mol
Exact Mass470.16
IUPAC Name2-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]acetamide
SMILESCN(C)c1cc(NC2CCC(NC(=O)Cc3ccc(Cl)c(Cl)c3)CC2)nc2ccccc12
InChIInChI=1S/C25H28Cl2N4O/c1-31(2)23-15-24(30-22-6-4-3-5-19(22)23)28-17-8-10-18(11-9-17)29-25(32)14-16-7-12-20(26)21(27)13-16/h3-7,12-13,15,17-18H,8-11,14H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyFHLQVQAMRJUNPT-UHFFFAOYSA-N
XLogP5.69
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.43
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]acetamide with MolForge

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Related Compounds

1-[(2-chlorophenyl)methyl]-1-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]urea
CID 175246729
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
1-[2-(aminomethyl)-3-chlorophenyl]-1-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]urea
CID 174489697
1-(2,6-diethylphenyl)-1-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]urea
CID 174488871
1-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-1-[(2-methylphenyl)methyl]urea
CID 174489550
2-(3,4-dichlorophenyl)-N-(4-methoxycyclohexyl)acetamide
CID 163319563
N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-3-methyl-4-nitrobenzamide
CID 11282288
1-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-3-(2,4,6-tribromophenyl)thiourea
CID 87995760
1-(2,4-dimethoxyphenyl)-3-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-1-sulfanylurea
CID 87995825
1-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]-1-naphthalen-1-ylthiourea
CID 174504043
N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 2557208
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]thiourea
CID 23027701

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]acetamide (CID 23026580) is 2-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]acetamide is CN(C)c1cc(NC2CCC(NC(=O)Cc3ccc(Cl)c(Cl)c3)CC2)nc2ccccc12.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]acetamide?
The InChIKey is FHLQVQAMRJUNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N4O/c1-31(2)23-15-24(30-22-6-4-3-5-19(22)23)28-17-8-10-18(11-9-17)29-25(32)14-16-7-12-20(26)21(27)13-16/h3-7,12-13,15,17-18H,8-11,14H2,1-2H3,(H,28,30)(H,29,32).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]acetamide?
2-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]acetamide has a molecular weight of 471.43 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[4-[[4-(dimethylamino)quinolin-2-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 23026580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).