N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methylquinolin-2-amine

C22H23FN2O — CID 60569983

IUPACN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methylquinolin-2-amine
SMILESCc1cc(NCC2(c3cccc(F)c3)CCOCC2)nc2ccccc12
InChIInChI=1S/C22H23FN2O/c1-16-13-21(25-20-8-3-2-7-19(16)20)24-15-22(9-11-26-12-10-22)17-5-4-6-18(23)14-17/h2-8,13-14H,9-12,15H2,1H3,(H,24,25)
InChIKeyGGJJZNVQEMWPEM-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.84
Rot. Bonds4

About N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methylquinolin-2-amine

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methylquinolin-2-amine (PubChem CID 60569983) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methylquinolin-2-amine.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methylquinolin-2-amine
PubChem CID60569983
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methylquinolin-2-amine
SMILESCc1cc(NCC2(c3cccc(F)c3)CCOCC2)nc2ccccc12
InChIInChI=1S/C22H23FN2O/c1-16-13-21(25-20-8-3-2-7-19(16)20)24-15-22(9-11-26-12-10-22)17-5-4-6-18(23)14-17/h2-8,13-14H,9-12,15H2,1H3,(H,24,25)
InChIKeyGGJJZNVQEMWPEM-UHFFFAOYSA-N
XLogP4.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenanthridin-6-ylmorpholine
CID 823944
N-cyclohexyl-4-methylquinolin-2-amine
CID 777799
6-Piperazin-1-yl-7,8,9,10-tetrahydro-phenanthridine
CID 399481
2-[2-(4-Methyl-piperazin-1-yl)-4-phenyl-quinolin-3-yl]-ethanol
CID 10617666
4-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-3-[2-(tetrahydro-furan-2-yloxy)-ethyl]-quinoline
CID 10741549
2-[4-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-quinolin-3-yl]-ethanol
CID 44287078
N-(cyclohexylmethyl)-4-methylquinolin-2-amine
CID 4826143
2,6-Dimethyl-4-(4-methylquinolin-2-yl)morpholine
CID 5070263
4-Methyl-2-morpholinoquinoline
CID 812365
N-(4-fluorophenyl)-4-morpholinoquinazolin-2-amine hydrochloride
CID 2908004
(4S)-3,3-dimethyl-1-(8-methylquinolin-2-yl)-N-[(3S)-oxan-3-yl]piperidine-4-carboxamide
CID 121313869
N-benzyl-4-methylquinolin-2-amine
CID 273577

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methylquinolin-2-amine?
The IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methylquinolin-2-amine (CID 60569983) is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methylquinolin-2-amine.
What is the SMILES notation for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methylquinolin-2-amine?
The canonical SMILES for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methylquinolin-2-amine is Cc1cc(NCC2(c3cccc(F)c3)CCOCC2)nc2ccccc12.
What is the InChIKey of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methylquinolin-2-amine?
The InChIKey is GGJJZNVQEMWPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c1-16-13-21(25-20-8-3-2-7-19(16)20)24-15-22(9-11-26-12-10-22)17-5-4-6-18(23)14-17/h2-8,13-14H,9-12,15H2,1H3,(H,24,25).
What are the key properties of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methylquinolin-2-amine?
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methylquinolin-2-amine has a molecular weight of 350.44 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methylquinolin-2-amine is sourced from PubChem (CID 60569983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).