N-[2-(2,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide

C22H21Cl2N3O — CID 143943855

IUPACN-[2-(2,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(Nc2ccc(Cl)cc2Cl)nc2ccccc12)C1CCCCC1
InChIInChI=1S/C22H21Cl2N3O/c23-15-10-11-19(17(24)12-15)26-21-13-20(16-8-4-5-9-18(16)25-21)27-22(28)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H2,25,26,27,28)
InChIKeyDGZJBEDSFLFTKS-UHFFFAOYSA-N
MW414.34 g/mol
LogP6.80
Rot. Bonds4

About N-[2-(2,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide

N-[2-(2,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide (PubChem CID 143943855) has the molecular formula C22H21Cl2N3O and a molecular weight of 414.34 g/mol. Its IUPAC name is N-[2-(2,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide
PubChem CID143943855
Molecular FormulaC22H21Cl2N3O
Molecular Weight414.34 g/mol
Exact Mass413.11
IUPAC NameN-[2-(2,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide
SMILESO=C(Nc1cc(Nc2ccc(Cl)cc2Cl)nc2ccccc12)C1CCCCC1
InChIInChI=1S/C22H21Cl2N3O/c23-15-10-11-19(17(24)12-15)26-21-13-20(16-8-4-5-9-18(16)25-21)27-22(28)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H2,25,26,27,28)
InChIKeyDGZJBEDSFLFTKS-UHFFFAOYSA-N
XLogP6.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.34
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dichloroanilino)quinolin-4-yl]cyclobutanecarboxamide
CID 66619080
N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclopentanecarboxamide;N-[2-(4-methoxyanilino)quinolin-4-yl]cyclopentanecarboxamide
CID 66619206
N-(4-chloro-2-iodophenyl)cyclooctanecarboxamide
CID 107640629
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751
4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 54928746
N-(2-bromo-5-chlorophenyl)cyclohexanecarboxamide
CID 81272184
N-(2,4-dichlorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25479669
N-quinolin-5-ylcyclohexanecarboxamide
CID 8873343
1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144629
N-quinolin-2-ylcyclopentanecarboxamide
CID 39959364
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(2,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide (CID 143943855) is N-[2-(2,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(2,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(2,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide is O=C(Nc1cc(Nc2ccc(Cl)cc2Cl)nc2ccccc12)C1CCCCC1.
What is the InChIKey of N-[2-(2,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide?
The InChIKey is DGZJBEDSFLFTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O/c23-15-10-11-19(17(24)12-15)26-21-13-20(16-8-4-5-9-18(16)25-21)27-22(28)14-6-2-1-3-7-14/h4-5,8-14H,1-3,6-7H2,(H2,25,26,27,28).
What are the key properties of N-[2-(2,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide?
N-[2-(2,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide has a molecular weight of 414.34 g/mol, XLogP of 6.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 143943855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).