4-methyl-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide

C24H33N3O — CID 15999877

IUPAC4-methyl-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide
SMILESCc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)C3CCC(C)CC3)cc12
InChIInChI=1S/C24H33N3O/c1-16-4-6-19(7-5-16)24(28)25-20-8-9-22-21(15-20)18(3)14-23(26-22)27-12-10-17(2)11-13-27/h8-9,14-17,19H,4-7,10-13H2,1-3H3,(H,25,28)
InChIKeyLPXVCPVAKUZWGD-UHFFFAOYSA-N
MW379.55 g/mol
LogP5.54
Rot. Bonds3

About 4-methyl-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide

4-methyl-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide (PubChem CID 15999877) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 4-methyl-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide
PubChem CID15999877
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name4-methyl-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide
SMILESCc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)C3CCC(C)CC3)cc12
InChIInChI=1S/C24H33N3O/c1-16-4-6-19(7-5-16)24(28)25-20-8-9-22-21(15-20)18(3)14-23(26-22)27-12-10-17(2)11-13-27/h8-9,14-17,19H,4-7,10-13H2,1-3H3,(H,25,28)
InChIKeyLPXVCPVAKUZWGD-UHFFFAOYSA-N
XLogP5.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide (CID 15999877) is 4-methyl-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide is Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)C3CCC(C)CC3)cc12.
What is the InChIKey of 4-methyl-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide?
The InChIKey is LPXVCPVAKUZWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-16-4-6-19(7-5-16)24(28)25-20-8-9-22-21(15-20)18(3)14-23(26-22)27-12-10-17(2)11-13-27/h8-9,14-17,19H,4-7,10-13H2,1-3H3,(H,25,28).
What are the key properties of 4-methyl-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide?
4-methyl-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide has a molecular weight of 379.55 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 15999877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).