N-cyclohexyl-1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-amine

C25H31N5 — CID 118264097

IUPACN-cyclohexyl-1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-amine
SMILESCc1ccc2nc(N3CCC(NC4CCCCC4)CC3)c(-c3ccncn3)cc2c1
InChIInChI=1S/C25H31N5/c1-18-7-8-23-19(15-18)16-22(24-9-12-26-17-27-24)25(29-23)30-13-10-21(11-14-30)28-20-5-3-2-4-6-20/h7-9,12,15-17,20-21,28H,2-6,10-11,13-14H2,1H3
InChIKeyXCLKLLPHNKLKII-UHFFFAOYSA-N
MW401.56 g/mol
LogP4.89
Rot. Bonds4

About N-cyclohexyl-1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-amine

N-cyclohexyl-1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-amine (PubChem CID 118264097) has the molecular formula C25H31N5 and a molecular weight of 401.56 g/mol. Its IUPAC name is N-cyclohexyl-1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-amine
PubChem CID118264097
Molecular FormulaC25H31N5
Molecular Weight401.56 g/mol
Exact Mass401.26
IUPAC NameN-cyclohexyl-1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-amine
SMILESCc1ccc2nc(N3CCC(NC4CCCCC4)CC3)c(-c3ccncn3)cc2c1
InChIInChI=1S/C25H31N5/c1-18-7-8-23-19(15-18)16-22(24-9-12-26-17-27-24)25(29-23)30-13-10-21(11-14-30)28-20-5-3-2-4-6-20/h7-9,12,15-17,20-21,28H,2-6,10-11,13-14H2,1H3
InChIKeyXCLKLLPHNKLKII-UHFFFAOYSA-N
XLogP4.89
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1S,2S)-2-[[1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-yl]amino]cyclohexan-1-ol
CID 118264091
N-cyclopentyl-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine
CID 129252293
1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-3-yl)piperidin-4-amine
CID 118263793
N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide
CID 118263989
N-cyclohexyl-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;2-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol;1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;2-[[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol
CID 158330098
N-cyclopentyl-1-[3-(4-iminopent-2-enimidoyl)-6-methylquinolin-2-yl]piperidin-4-amine
CID 123307719
N-cyclopentyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]-6-methylquinolin-2-yl]piperidin-4-amine
CID 118264014
N-cyclohexyl-4-methyl-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
CID 118263814
[4-(cyclohexylamino)-1-[6-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-2-yl]piperidin-3-yl]methanol
CID 118263872
1-[2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinolin-3-yl]ethanone
CID 118264059
N-cyclopentyl-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxypiperidin-4-amine
CID 118263877
N-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine
CID 118263799

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-amine?
The IUPAC name of N-cyclohexyl-1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-amine (CID 118264097) is N-cyclohexyl-1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-amine.
What is the SMILES notation for N-cyclohexyl-1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-amine?
The canonical SMILES for N-cyclohexyl-1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-amine is Cc1ccc2nc(N3CCC(NC4CCCCC4)CC3)c(-c3ccncn3)cc2c1.
What is the InChIKey of N-cyclohexyl-1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-amine?
The InChIKey is XCLKLLPHNKLKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5/c1-18-7-8-23-19(15-18)16-22(24-9-12-26-17-27-24)25(29-23)30-13-10-21(11-14-30)28-20-5-3-2-4-6-20/h7-9,12,15-17,20-21,28H,2-6,10-11,13-14H2,1H3.
What are the key properties of N-cyclohexyl-1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-amine?
N-cyclohexyl-1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-amine has a molecular weight of 401.56 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(6-methyl-3-pyrimidin-4-ylquinolin-2-yl)piperidin-4-amine is sourced from PubChem (CID 118264097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).