N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-8-fluoroquinolin-4-amine

C21H25FN4O — CID 119046010

IUPACN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-8-fluoroquinolin-4-amine
SMILESCc1nc(CN2CCC(CNc3ccnc4c(F)cccc34)CC2)oc1C
InChIInChI=1S/C21H25FN4O/c1-14-15(2)27-20(25-14)13-26-10-7-16(8-11-26)12-24-19-6-9-23-21-17(19)4-3-5-18(21)22/h3-6,9,16H,7-8,10-13H2,1-2H3,(H,23,24)
InChIKeyCRSMVQRPHFCTAF-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.30
Rot. Bonds5

About N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-8-fluoroquinolin-4-amine

N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-8-fluoroquinolin-4-amine (PubChem CID 119046010) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-8-fluoroquinolin-4-amine.

Molecular Properties

Compound NameN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-8-fluoroquinolin-4-amine
PubChem CID119046010
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC NameN-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-8-fluoroquinolin-4-amine
SMILESCc1nc(CN2CCC(CNc3ccnc4c(F)cccc34)CC2)oc1C
InChIInChI=1S/C21H25FN4O/c1-14-15(2)27-20(25-14)13-26-10-7-16(8-11-26)12-24-19-6-9-23-21-17(19)4-3-5-18(21)22/h3-6,9,16H,7-8,10-13H2,1-2H3,(H,23,24)
InChIKeyCRSMVQRPHFCTAF-UHFFFAOYSA-N
XLogP4.30
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.30
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]-8-fluoroquinolin-4-amine?
The IUPAC name of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-8-fluoroquinolin-4-amine (CID 119046010) is N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-8-fluoroquinolin-4-amine.
What is the SMILES notation for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-8-fluoroquinolin-4-amine?
The canonical SMILES for N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-8-fluoroquinolin-4-amine is Cc1nc(CN2CCC(CNc3ccnc4c(F)cccc34)CC2)oc1C.
What is the InChIKey of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-8-fluoroquinolin-4-amine?
The InChIKey is CRSMVQRPHFCTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c1-14-15(2)27-20(25-14)13-26-10-7-16(8-11-26)12-24-19-6-9-23-21-17(19)4-3-5-18(21)22/h3-6,9,16H,7-8,10-13H2,1-2H3,(H,23,24).
What are the key properties of N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-8-fluoroquinolin-4-amine?
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-8-fluoroquinolin-4-amine has a molecular weight of 368.46 g/mol, XLogP of 4.30, 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]-8-fluoroquinolin-4-amine is sourced from PubChem (CID 119046010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).