1-[5-(7-fluoro-1,5-naphthyridin-4-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine

C18H18FN3O — CID 166363079

IUPAC1-[5-(7-fluoro-1,5-naphthyridin-4-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-c2ccnc3cc(F)cnc23)cc1CN(C)C
InChIInChI=1S/C18H18FN3O/c1-22(2)11-13-8-12(4-5-17(13)23-3)15-6-7-20-16-9-14(19)10-21-18(15)16/h4-10H,11H2,1-3H3
InChIKeyQQWHEZVBRIABRO-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.51
Rot. Bonds4

About 1-[5-(7-fluoro-1,5-naphthyridin-4-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine

1-[5-(7-fluoro-1,5-naphthyridin-4-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine (PubChem CID 166363079) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-[5-(7-fluoro-1,5-naphthyridin-4-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-(7-fluoro-1,5-naphthyridin-4-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine
PubChem CID166363079
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name1-[5-(7-fluoro-1,5-naphthyridin-4-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-c2ccnc3cc(F)cnc23)cc1CN(C)C
InChIInChI=1S/C18H18FN3O/c1-22(2)11-13-8-12(4-5-17(13)23-3)15-6-7-20-16-9-14(19)10-21-18(15)16/h4-10H,11H2,1-3H3
InChIKeyQQWHEZVBRIABRO-UHFFFAOYSA-N
XLogP3.51
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-chlorophenyl)-2-methoxyphenyl]-N,N-dimethylmethanamine
CID 54565431
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]ethanethiol
CID 115224056
[5-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]methanamine
CID 54966138
N-[[2-methoxy-5-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine
CID 66278387
[5-(2-fluorophenyl)-2-methoxyphenyl]methanamine;hydrochloride
CID 171037272
1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine
CID 163307292
3-[(dimethylamino)methyl]-4-methoxybenzaldehyde
CID 3159838
3-chloro-8-methoxy-1,5-naphthyridine
CID 155294269
[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
CID 156589399
1-[5,8-dimethoxy-2-(3-methylphenyl)quinolin-3-yl]-N,N-dimethylmethanamine
CID 70779266
5-(4-fluorophenyl)-8-methoxyquinoxalin-2-amine
CID 155269526
3-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 60988210

Frequently Asked Questions

What is the IUPAC name of 1-[5-(7-fluoro-1,5-naphthyridin-4-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-(7-fluoro-1,5-naphthyridin-4-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine (CID 166363079) is 1-[5-(7-fluoro-1,5-naphthyridin-4-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-(7-fluoro-1,5-naphthyridin-4-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-(7-fluoro-1,5-naphthyridin-4-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine is COc1ccc(-c2ccnc3cc(F)cnc23)cc1CN(C)C.
What is the InChIKey of 1-[5-(7-fluoro-1,5-naphthyridin-4-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine?
The InChIKey is QQWHEZVBRIABRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-22(2)11-13-8-12(4-5-17(13)23-3)15-6-7-20-16-9-14(19)10-21-18(15)16/h4-10H,11H2,1-3H3.
What are the key properties of 1-[5-(7-fluoro-1,5-naphthyridin-4-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine?
1-[5-(7-fluoro-1,5-naphthyridin-4-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine has a molecular weight of 311.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(7-fluoro-1,5-naphthyridin-4-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 166363079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).