propan-2-yl 4-[(6-fluoro-2-methylquinolin-4-yl)amino]piperidine-1-carboxylate

C19H24FN3O2 — CID 133388898

IUPACpropan-2-yl 4-[(6-fluoro-2-methylquinolin-4-yl)amino]piperidine-1-carboxylate
SMILESCc1cc(NC2CCN(C(=O)OC(C)C)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C19H24FN3O2/c1-12(2)25-19(24)23-8-6-15(7-9-23)22-18-10-13(3)21-17-5-4-14(20)11-16(17)18/h4-5,10-12,15H,6-9H2,1-3H3,(H,21,22)
InChIKeySULQVECIUDBJTE-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.10
Rot. Bonds3

About propan-2-yl 4-[(6-fluoro-2-methylquinolin-4-yl)amino]piperidine-1-carboxylate

propan-2-yl 4-[(6-fluoro-2-methylquinolin-4-yl)amino]piperidine-1-carboxylate (PubChem CID 133388898) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is propan-2-yl 4-[(6-fluoro-2-methylquinolin-4-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[(6-fluoro-2-methylquinolin-4-yl)amino]piperidine-1-carboxylate
PubChem CID133388898
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Namepropan-2-yl 4-[(6-fluoro-2-methylquinolin-4-yl)amino]piperidine-1-carboxylate
SMILESCc1cc(NC2CCN(C(=O)OC(C)C)CC2)c2cc(F)ccc2n1
InChIInChI=1S/C19H24FN3O2/c1-12(2)25-19(24)23-8-6-15(7-9-23)22-18-10-13(3)21-17-5-4-14(20)11-16(17)18/h4-5,10-12,15H,6-9H2,1-3H3,(H,21,22)
InChIKeySULQVECIUDBJTE-UHFFFAOYSA-N
XLogP4.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060187
ethyl 4-(4-fluoro-2-iodoanilino)piperidine-1-carboxylate
CID 79768815
N-(6-fluoro-2-methylquinolin-4-yl)-2-methylpropanamide
CID 39850982
propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate
CID 14751342
1-cyclopentyl-2-[(6-fluoro-2-methylquinolin-4-yl)amino]ethanol
CID 133394062
ethyl 4-(4-fluoro-2-nitrosoanilino)piperidine-1-carboxylate
CID 89064489
6-fluoro-2-methyl-N-(3-methylsulfonylcyclohexyl)quinolin-4-amine
CID 133394331
tert-butyl 3-[(6-fluoroquinolin-4-yl)amino]pyrrolidine-1-carboxylate
CID 175301027
propan-2-yl 4-[6-(2,5-difluorophenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 67540981
propan-2-yl 4-[[2-(6-fluoro-3-methylindazol-1-yl)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 176790936
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
propan-2-yl 4-[(5-bromo-3-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 133360474

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(6-fluoro-2-methylquinolin-4-yl)amino]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[(6-fluoro-2-methylquinolin-4-yl)amino]piperidine-1-carboxylate (CID 133388898) is propan-2-yl 4-[(6-fluoro-2-methylquinolin-4-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[(6-fluoro-2-methylquinolin-4-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[(6-fluoro-2-methylquinolin-4-yl)amino]piperidine-1-carboxylate is Cc1cc(NC2CCN(C(=O)OC(C)C)CC2)c2cc(F)ccc2n1.
What is the InChIKey of propan-2-yl 4-[(6-fluoro-2-methylquinolin-4-yl)amino]piperidine-1-carboxylate?
The InChIKey is SULQVECIUDBJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-12(2)25-19(24)23-8-6-15(7-9-23)22-18-10-13(3)21-17-5-4-14(20)11-16(17)18/h4-5,10-12,15H,6-9H2,1-3H3,(H,21,22).
What are the key properties of propan-2-yl 4-[(6-fluoro-2-methylquinolin-4-yl)amino]piperidine-1-carboxylate?
propan-2-yl 4-[(6-fluoro-2-methylquinolin-4-yl)amino]piperidine-1-carboxylate has a molecular weight of 345.42 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(6-fluoro-2-methylquinolin-4-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 133388898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).