7-fluoro-N,N-dimethyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]quinolin-2-amine

C22H26FN3O3 — CID 118758168

IUPAC7-fluoro-N,N-dimethyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]quinolin-2-amine
SMILESCOc1cc(CNCc2cc3ccc(F)cc3nc2N(C)C)cc(OC)c1OC
InChIInChI=1S/C22H26FN3O3/c1-26(2)22-16(10-15-6-7-17(23)11-18(15)25-22)13-24-12-14-8-19(27-3)21(29-5)20(9-14)28-4/h6-11,24H,12-13H2,1-5H3
InChIKeyBNSARCAAMDWGCF-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.76
Rot. Bonds8

About 7-fluoro-N,N-dimethyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]quinolin-2-amine

7-fluoro-N,N-dimethyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]quinolin-2-amine (PubChem CID 118758168) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is 7-fluoro-N,N-dimethyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]quinolin-2-amine.

Molecular Properties

Compound Name7-fluoro-N,N-dimethyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]quinolin-2-amine
PubChem CID118758168
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name7-fluoro-N,N-dimethyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]quinolin-2-amine
SMILESCOc1cc(CNCc2cc3ccc(F)cc3nc2N(C)C)cc(OC)c1OC
InChIInChI=1S/C22H26FN3O3/c1-26(2)22-16(10-15-6-7-17(23)11-18(15)25-22)13-24-12-14-8-19(27-3)21(29-5)20(9-14)28-4/h6-11,24H,12-13H2,1-5H3
InChIKeyBNSARCAAMDWGCF-UHFFFAOYSA-N
XLogP3.76
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-N,N-dimethyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]quinolin-2-amine with MolForge

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Related Compounds

3-[[(3,5-dimethoxyphenyl)methylamino]methyl]-7-fluoro-N,N-dimethylquinolin-2-amine
CID 29208215
5,6,7-trimethoxy-N,N-dimethyl-3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]quinolin-2-amine
CID 42317885
1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride
CID 53351776
1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 775222
1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 119137895
N-[(5-bromo-2,3-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 29227843
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
CID 871572
6-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-2-amine
CID 60579306
2-N,2-N,4-trimethyl-1-N-[(3,4,5-trimethoxyphenyl)methyl]pentane-1,2-diamine
CID 75871522
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 31016911
3-[[2-(dimethylamino)-7-methylquinolin-3-yl]methylamino]propan-1-ol
CID 118754930
3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride
CID 47615971

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,N-dimethyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]quinolin-2-amine?
The IUPAC name of 7-fluoro-N,N-dimethyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]quinolin-2-amine (CID 118758168) is 7-fluoro-N,N-dimethyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]quinolin-2-amine.
What is the SMILES notation for 7-fluoro-N,N-dimethyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]quinolin-2-amine?
The canonical SMILES for 7-fluoro-N,N-dimethyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]quinolin-2-amine is COc1cc(CNCc2cc3ccc(F)cc3nc2N(C)C)cc(OC)c1OC.
What is the InChIKey of 7-fluoro-N,N-dimethyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]quinolin-2-amine?
The InChIKey is BNSARCAAMDWGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-26(2)22-16(10-15-6-7-17(23)11-18(15)25-22)13-24-12-14-8-19(27-3)21(29-5)20(9-14)28-4/h6-11,24H,12-13H2,1-5H3.
What are the key properties of 7-fluoro-N,N-dimethyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]quinolin-2-amine?
7-fluoro-N,N-dimethyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]quinolin-2-amine has a molecular weight of 399.47 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,N-dimethyl-3-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]quinolin-2-amine is sourced from PubChem (CID 118758168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).