2-(difluoromethyl)-N-methyl-6-piperidin-1-ylquinolin-4-amine

C16H19F2N3 — CID 63181107

IUPAC2-(difluoromethyl)-N-methyl-6-piperidin-1-ylquinolin-4-amine
SMILESCNc1cc(C(F)F)nc2ccc(N3CCCCC3)cc12
InChIInChI=1S/C16H19F2N3/c1-19-14-10-15(16(17)18)20-13-6-5-11(9-12(13)14)21-7-3-2-4-8-21/h5-6,9-10,16H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyCNFTZJJKAKMHJJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.20
Rot. Bonds3

About 2-(difluoromethyl)-N-methyl-6-piperidin-1-ylquinolin-4-amine

2-(difluoromethyl)-N-methyl-6-piperidin-1-ylquinolin-4-amine (PubChem CID 63181107) has the molecular formula C16H19F2N3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-methyl-6-piperidin-1-ylquinolin-4-amine.

Molecular Properties

Compound Name2-(difluoromethyl)-N-methyl-6-piperidin-1-ylquinolin-4-amine
PubChem CID63181107
Molecular FormulaC16H19F2N3
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-(difluoromethyl)-N-methyl-6-piperidin-1-ylquinolin-4-amine
SMILESCNc1cc(C(F)F)nc2ccc(N3CCCCC3)cc12
InChIInChI=1S/C16H19F2N3/c1-19-14-10-15(16(17)18)20-13-6-5-11(9-12(13)14)21-7-3-2-4-8-21/h5-6,9-10,16H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyCNFTZJJKAKMHJJ-UHFFFAOYSA-N
XLogP4.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(difluoromethyl)-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine
CID 62892094
2-methyl-N-propyl-6-pyrrolidin-1-ylquinolin-4-amine
CID 63180985
6-fluoro-N-methyl-2-propan-2-ylquinolin-4-amine
CID 62202391
N-ethyl-6-piperidin-1-ylquinolin-4-amine
CID 63180896
4-chloro-2-methyl-6-piperidin-1-yl-3-propan-2-ylquinoline
CID 63409043
4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline
CID 63180046
6-(2,2-dimethylmorpholin-4-yl)-N,2-dimethylquinolin-4-amine
CID 166829546
N,6-dimethyl-2-propan-2-ylquinolin-4-amine
CID 62202007
2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylquinoline
CID 170001559
N-ethyl-7-pyrrolidin-1-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 63180941
3-ethyl-2-methyl-6-piperidin-1-ylquinolin-4-amine
CID 63180512
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-methyl-6-piperidin-1-ylquinolin-4-amine?
The IUPAC name of 2-(difluoromethyl)-N-methyl-6-piperidin-1-ylquinolin-4-amine (CID 63181107) is 2-(difluoromethyl)-N-methyl-6-piperidin-1-ylquinolin-4-amine.
What is the SMILES notation for 2-(difluoromethyl)-N-methyl-6-piperidin-1-ylquinolin-4-amine?
The canonical SMILES for 2-(difluoromethyl)-N-methyl-6-piperidin-1-ylquinolin-4-amine is CNc1cc(C(F)F)nc2ccc(N3CCCCC3)cc12.
What is the InChIKey of 2-(difluoromethyl)-N-methyl-6-piperidin-1-ylquinolin-4-amine?
The InChIKey is CNFTZJJKAKMHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-19-14-10-15(16(17)18)20-13-6-5-11(9-12(13)14)21-7-3-2-4-8-21/h5-6,9-10,16H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of 2-(difluoromethyl)-N-methyl-6-piperidin-1-ylquinolin-4-amine?
2-(difluoromethyl)-N-methyl-6-piperidin-1-ylquinolin-4-amine has a molecular weight of 291.35 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-methyl-6-piperidin-1-ylquinolin-4-amine is sourced from PubChem (CID 63181107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).