N-[[2-[(2-chlorophenyl)methoxy]-7-fluoroquinolin-3-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine

C22H19ClFN3O2 — CID 42481684

IUPACN-[[2-[(2-chlorophenyl)methoxy]-7-fluoroquinolin-3-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine
SMILESCc1cc(CNCc2cc3ccc(F)cc3nc2OCc2ccccc2Cl)on1
InChIInChI=1S/C22H19ClFN3O2/c1-14-8-19(29-27-14)12-25-11-17-9-15-6-7-18(24)10-21(15)26-22(17)28-13-16-4-2-3-5-20(16)23/h2-10,25H,11-13H2,1H3
InChIKeyHZJVIQALUVOJTD-UHFFFAOYSA-N
MW411.86 g/mol
LogP5.19
Rot. Bonds7

About N-[[2-[(2-chlorophenyl)methoxy]-7-fluoroquinolin-3-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine

N-[[2-[(2-chlorophenyl)methoxy]-7-fluoroquinolin-3-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine (PubChem CID 42481684) has the molecular formula C22H19ClFN3O2 and a molecular weight of 411.86 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methoxy]-7-fluoroquinolin-3-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methoxy]-7-fluoroquinolin-3-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine
PubChem CID42481684
Molecular FormulaC22H19ClFN3O2
Molecular Weight411.86 g/mol
Exact Mass411.11
IUPAC NameN-[[2-[(2-chlorophenyl)methoxy]-7-fluoroquinolin-3-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine
SMILESCc1cc(CNCc2cc3ccc(F)cc3nc2OCc2ccccc2Cl)on1
InChIInChI=1S/C22H19ClFN3O2/c1-14-8-19(29-27-14)12-25-11-17-9-15-6-7-18(24)10-21(15)26-22(17)28-13-16-4-2-3-5-20(16)23/h2-10,25H,11-13H2,1H3
InChIKeyHZJVIQALUVOJTD-UHFFFAOYSA-N
XLogP5.19
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.86
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluoro-2-methylphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 62135129
1-[2-[(2-chlorophenyl)methoxy]-6-methylquinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 42468577
N-[[2-[(2-chlorophenyl)methoxy]-6-methylquinolin-3-yl]methyl]oxolan-3-amine
CID 56855604
1-[(2S)-1,4-dioxan-2-yl]-N-[[2-[(2-fluorophenyl)methoxy]-7-methylsulfanylquinolin-3-yl]methyl]methanamine
CID 31125714
N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
CID 42485314
[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 112607574
1-[2-[(2-chlorophenyl)methoxy]phenyl]-N-[(2-chlorophenyl)methyl]methanamine
CID 4715632
N-[[2-[(2-chlorophenyl)methoxy]-6-methylquinolin-3-yl]methyl]-1-[(3R)-1,1-dioxothiolan-3-yl]methanamine
CID 42278252
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine
CID 66531659
1-(1,4-dioxan-2-yl)-N-[[7-fluoro-2-(pyridin-3-ylmethoxy)quinolin-3-yl]methyl]methanamine
CID 56856076
(2R)-1-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51996946
2-[3-chloro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 112615109

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]-7-fluoroquinolin-3-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-[[2-[(2-chlorophenyl)methoxy]-7-fluoroquinolin-3-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine (CID 42481684) is N-[[2-[(2-chlorophenyl)methoxy]-7-fluoroquinolin-3-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methoxy]-7-fluoroquinolin-3-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methoxy]-7-fluoroquinolin-3-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine is Cc1cc(CNCc2cc3ccc(F)cc3nc2OCc2ccccc2Cl)on1.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methoxy]-7-fluoroquinolin-3-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
The InChIKey is HZJVIQALUVOJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O2/c1-14-8-19(29-27-14)12-25-11-17-9-15-6-7-18(24)10-21(15)26-22(17)28-13-16-4-2-3-5-20(16)23/h2-10,25H,11-13H2,1H3.
What are the key properties of N-[[2-[(2-chlorophenyl)methoxy]-7-fluoroquinolin-3-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
N-[[2-[(2-chlorophenyl)methoxy]-7-fluoroquinolin-3-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine has a molecular weight of 411.86 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methoxy]-7-fluoroquinolin-3-yl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 42481684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).