N-[2-(4-methylanilino)quinolin-4-yl]cyclohexanecarboxamide

C23H25N3O — CID 25223760

IUPACN-[2-(4-methylanilino)quinolin-4-yl]cyclohexanecarboxamide
SMILESCc1ccc(Nc2cc(NC(=O)C3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C23H25N3O/c1-16-11-13-18(14-12-16)24-22-15-21(19-9-5-6-10-20(19)25-22)26-23(27)17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3,(H2,24,25,26,27)
InChIKeyPAWUNJPNTOOVIN-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.81
Rot. Bonds4

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

N-[2-(4-methylanilino)quinolin-4-yl]cyclohexanecarboxamide (PubChem CID 25223760) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[2-(4-methylanilino)quinolin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-methylanilino)quinolin-4-yl]cyclohexanecarboxamide
PubChem CID25223760
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-[2-(4-methylanilino)quinolin-4-yl]cyclohexanecarboxamide
SMILESCc1ccc(Nc2cc(NC(=O)C3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C23H25N3O/c1-16-11-13-18(14-12-16)24-22-15-21(19-9-5-6-10-20(19)25-22)26-23(27)17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3,(H2,24,25,26,27)
InChIKeyPAWUNJPNTOOVIN-UHFFFAOYSA-N
XLogP5.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylanilino)quinolin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4-methylanilino)quinolin-4-yl]cyclohexanecarboxamide (CID 25223760) is N-[2-(4-methylanilino)quinolin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4-methylanilino)quinolin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4-methylanilino)quinolin-4-yl]cyclohexanecarboxamide is Cc1ccc(Nc2cc(NC(=O)C3CCCCC3)c3ccccc3n2)cc1.
What is the InChIKey of N-[2-(4-methylanilino)quinolin-4-yl]cyclohexanecarboxamide?
The InChIKey is PAWUNJPNTOOVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16-11-13-18(14-12-16)24-22-15-21(19-9-5-6-10-20(19)25-22)26-23(27)17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3,(H2,24,25,26,27).
What are the key properties of N-[2-(4-methylanilino)quinolin-4-yl]cyclohexanecarboxamide?
N-[2-(4-methylanilino)quinolin-4-yl]cyclohexanecarboxamide has a molecular weight of 359.47 g/mol, XLogP of 5.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylanilino)quinolin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 25223760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).