N-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine

C23H34N4 — CID 118475354

IUPACN-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine
SMILESCCc1ccc2ncnc(NC3CCC(N4CCC(C)(C)CC4)CC3)c2c1
InChIInChI=1S/C23H34N4/c1-4-17-5-10-21-20(15-17)22(25-16-24-21)26-18-6-8-19(9-7-18)27-13-11-23(2,3)12-14-27/h5,10,15-16,18-19H,4,6-9,11-14H2,1-3H3,(H,24,25,26)
InChIKeyKWMYHFDJVLOWMD-UHFFFAOYSA-N
MW366.55 g/mol
LogP5.04
Rot. Bonds4

About N-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine

N-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine (PubChem CID 118475354) has the molecular formula C23H34N4 and a molecular weight of 366.55 g/mol. Its IUPAC name is N-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine.

Molecular Properties

Compound NameN-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine
PubChem CID118475354
Molecular FormulaC23H34N4
Molecular Weight366.55 g/mol
Exact Mass366.28
IUPAC NameN-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine
SMILESCCc1ccc2ncnc(NC3CCC(N4CCC(C)(C)CC4)CC3)c2c1
InChIInChI=1S/C23H34N4/c1-4-17-5-10-21-20(15-17)22(25-16-24-21)26-18-6-8-19(9-7-18)27-13-11-23(2,3)12-14-27/h5,10,15-16,18-19H,4,6-9,11-14H2,1-3H3,(H,24,25,26)
InChIKeyKWMYHFDJVLOWMD-UHFFFAOYSA-N
XLogP5.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine?
The IUPAC name of N-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine (CID 118475354) is N-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine.
What is the SMILES notation for N-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine?
The canonical SMILES for N-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine is CCc1ccc2ncnc(NC3CCC(N4CCC(C)(C)CC4)CC3)c2c1.
What is the InChIKey of N-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine?
The InChIKey is KWMYHFDJVLOWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4/c1-4-17-5-10-21-20(15-17)22(25-16-24-21)26-18-6-8-19(9-7-18)27-13-11-23(2,3)12-14-27/h5,10,15-16,18-19H,4,6-9,11-14H2,1-3H3,(H,24,25,26).
What are the key properties of N-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine?
N-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine has a molecular weight of 366.55 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,4-dimethylpiperidin-1-yl)cyclohexyl]-6-ethylquinazolin-4-amine is sourced from PubChem (CID 118475354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).