N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-2-methylquinolin-4-amine

C22H27FN4O — CID 133388792

IUPACN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-2-methylquinolin-4-amine
SMILESCc1cc(NCC2CCN(Cc3nc(C)c(C)o3)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C22H27FN4O/c1-14-10-21(19-11-18(23)4-5-20(19)25-14)24-12-17-6-8-27(9-7-17)13-22-26-15(2)16(3)28-22/h4-5,10-11,17H,6-9,12-13H2,1-3H3,(H,24,25)
InChIKeyJEQWAHYFDXIHLJ-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.61
Rot. Bonds5

About N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-2-methylquinolin-4-amine

N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-2-methylquinolin-4-amine (PubChem CID 133388792) has the molecular formula C22H27FN4O and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-2-methylquinolin-4-amine
PubChem CID133388792
Molecular FormulaC22H27FN4O
Molecular Weight382.48 g/mol
Exact Mass382.22
IUPAC NameN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-2-methylquinolin-4-amine
SMILESCc1cc(NCC2CCN(Cc3nc(C)c(C)o3)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C22H27FN4O/c1-14-10-21(19-11-18(23)4-5-20(19)25-14)24-12-17-6-8-27(9-7-17)13-22-26-15(2)16(3)28-22/h4-5,10-11,17H,6-9,12-13H2,1-3H3,(H,24,25)
InChIKeyJEQWAHYFDXIHLJ-UHFFFAOYSA-N
XLogP4.61
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-2-methylquinolin-4-amine?
The IUPAC name of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-2-methylquinolin-4-amine (CID 133388792) is N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-2-methylquinolin-4-amine.
What is the SMILES notation for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-2-methylquinolin-4-amine?
The canonical SMILES for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-2-methylquinolin-4-amine is Cc1cc(NCC2CCN(Cc3nc(C)c(C)o3)CC2)c2cc(F)ccc2n1.
What is the InChIKey of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-2-methylquinolin-4-amine?
The InChIKey is JEQWAHYFDXIHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O/c1-14-10-21(19-11-18(23)4-5-20(19)25-14)24-12-17-6-8-27(9-7-17)13-22-26-15(2)16(3)28-22/h4-5,10-11,17H,6-9,12-13H2,1-3H3,(H,24,25).
What are the key properties of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-2-methylquinolin-4-amine?
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-2-methylquinolin-4-amine has a molecular weight of 382.48 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-2-methylquinolin-4-amine is sourced from PubChem (CID 133388792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).