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

C26H32N6O — CID 4244680

IUPAC4-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide
SMILESCc1cc(N2CCN(c3ncccn3)CC2)nc2ccc(NC(=O)C3CCC(C)CC3)cc12
InChIInChI=1S/C26H32N6O/c1-18-4-6-20(7-5-18)25(33)29-21-8-9-23-22(17-21)19(2)16-24(30-23)31-12-14-32(15-13-31)26-27-10-3-11-28-26/h3,8-11,16-18,20H,4-7,12-15H2,1-2H3,(H,29,33)
InChIKeyGDSJFNUFUQXAIP-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.42
Rot. Bonds4

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

4-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide (PubChem CID 4244680) has the molecular formula C26H32N6O and a molecular weight of 444.58 g/mol. Its IUPAC name is 4-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide
PubChem CID4244680
Molecular FormulaC26H32N6O
Molecular Weight444.58 g/mol
Exact Mass444.26
IUPAC Name4-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide
SMILESCc1cc(N2CCN(c3ncccn3)CC2)nc2ccc(NC(=O)C3CCC(C)CC3)cc12
InChIInChI=1S/C26H32N6O/c1-18-4-6-20(7-5-18)25(33)29-21-8-9-23-22(17-21)19(2)16-24(30-23)31-12-14-32(15-13-31)26-27-10-3-11-28-26/h3,8-11,16-18,20H,4-7,12-15H2,1-2H3,(H,29,33)
InChIKeyGDSJFNUFUQXAIP-UHFFFAOYSA-N
XLogP4.42
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide (CID 4244680) is 4-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide is Cc1cc(N2CCN(c3ncccn3)CC2)nc2ccc(NC(=O)C3CCC(C)CC3)cc12.
What is the InChIKey of 4-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide?
The InChIKey is GDSJFNUFUQXAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O/c1-18-4-6-20(7-5-18)25(33)29-21-8-9-23-22(17-21)19(2)16-24(30-23)31-12-14-32(15-13-31)26-27-10-3-11-28-26/h3,8-11,16-18,20H,4-7,12-15H2,1-2H3,(H,29,33).
What are the key properties of 4-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide?
4-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 4244680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).