N-cyclohexyl-2-(2-methylanilino)quinoline-4-carboxamide

C23H25N3O — CID 15990855

IUPACN-cyclohexyl-2-(2-methylanilino)quinoline-4-carboxamide
SMILESCc1ccccc1Nc1cc(C(=O)NC2CCCCC2)c2ccccc2n1
InChIInChI=1S/C23H25N3O/c1-16-9-5-7-13-20(16)25-22-15-19(18-12-6-8-14-21(18)26-22)23(27)24-17-10-3-2-4-11-17/h5-9,12-15,17H,2-4,10-11H2,1H3,(H,24,27)(H,25,26)
InChIKeySQWDEKCUGYVEBM-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.35
Rot. Bonds4

About N-cyclohexyl-2-(2-methylanilino)quinoline-4-carboxamide

N-cyclohexyl-2-(2-methylanilino)quinoline-4-carboxamide (PubChem CID 15990855) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-methylanilino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-methylanilino)quinoline-4-carboxamide
PubChem CID15990855
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-cyclohexyl-2-(2-methylanilino)quinoline-4-carboxamide
SMILESCc1ccccc1Nc1cc(C(=O)NC2CCCCC2)c2ccccc2n1
InChIInChI=1S/C23H25N3O/c1-16-9-5-7-13-20(16)25-22-15-19(18-12-6-8-14-21(18)26-22)23(27)24-17-10-3-2-4-11-17/h5-9,12-15,17H,2-4,10-11H2,1H3,(H,24,27)(H,25,26)
InChIKeySQWDEKCUGYVEBM-UHFFFAOYSA-N
XLogP5.35
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 ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-methylanilino)quinoline-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(2-methylanilino)quinoline-4-carboxamide (CID 15990855) is N-cyclohexyl-2-(2-methylanilino)quinoline-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(2-methylanilino)quinoline-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(2-methylanilino)quinoline-4-carboxamide is Cc1ccccc1Nc1cc(C(=O)NC2CCCCC2)c2ccccc2n1.
What is the InChIKey of N-cyclohexyl-2-(2-methylanilino)quinoline-4-carboxamide?
The InChIKey is SQWDEKCUGYVEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16-9-5-7-13-20(16)25-22-15-19(18-12-6-8-14-21(18)26-22)23(27)24-17-10-3-2-4-11-17/h5-9,12-15,17H,2-4,10-11H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-cyclohexyl-2-(2-methylanilino)quinoline-4-carboxamide?
N-cyclohexyl-2-(2-methylanilino)quinoline-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-methylanilino)quinoline-4-carboxamide is sourced from PubChem (CID 15990855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).