N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-quinolin-8-ylmethanamine

C15H14F2N4 — CID 78978768

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-quinolin-8-ylmethanamine
SMILESFC(F)n1ccnc1CNCc1cccc2cccnc12
InChIInChI=1S/C15H14F2N4/c16-15(17)21-8-7-19-13(21)10-18-9-12-4-1-3-11-5-2-6-20-14(11)12/h1-8,15,18H,9-10H2
InChIKeyGNSOTEVWUHACTQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.12
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-quinolin-8-ylmethanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-quinolin-8-ylmethanamine (PubChem CID 78978768) has the molecular formula C15H14F2N4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-quinolin-8-ylmethanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-quinolin-8-ylmethanamine
PubChem CID78978768
Molecular FormulaC15H14F2N4
Molecular Weight288.30 g/mol
Exact Mass288.12
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-quinolin-8-ylmethanamine
SMILESFC(F)n1ccnc1CNCc1cccc2cccnc12
InChIInChI=1S/C15H14F2N4/c16-15(17)21-8-7-19-13(21)10-18-9-12-4-1-3-11-5-2-6-20-14(11)12/h1-8,15,18H,9-10H2
InChIKeyGNSOTEVWUHACTQ-UHFFFAOYSA-N
XLogP3.12
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine
CID 43111957
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 43111962
2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
CID 28608711
2,6-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline
CID 107258242
3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine
CID 81435594
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
CID 78980832
1-(furan-3-yl)-N-(quinolin-8-ylmethyl)methanamine
CID 113224554
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline
CID 43142893
2-chloro-N-(quinolin-8-ylmethyl)prop-2-en-1-amine
CID 79003767
N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine
CID 78921379
N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine
CID 81428748

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-quinolin-8-ylmethanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-quinolin-8-ylmethanamine (CID 78978768) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-quinolin-8-ylmethanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-quinolin-8-ylmethanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-quinolin-8-ylmethanamine is FC(F)n1ccnc1CNCc1cccc2cccnc12.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-quinolin-8-ylmethanamine?
The InChIKey is GNSOTEVWUHACTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4/c16-15(17)21-8-7-19-13(21)10-18-9-12-4-1-3-11-5-2-6-20-14(11)12/h1-8,15,18H,9-10H2.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-quinolin-8-ylmethanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-quinolin-8-ylmethanamine has a molecular weight of 288.30 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-quinolin-8-ylmethanamine is sourced from PubChem (CID 78978768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).