5-fluoro-2-methyl-3-(phenylmethoxymethyl)quinolin-4-amine

C18H17FN2O — CID 11098484

IUPAC5-fluoro-2-methyl-3-(phenylmethoxymethyl)quinolin-4-amine
SMILESCc1nc2cccc(F)c2c(N)c1COCc1ccccc1
InChIInChI=1S/C18H17FN2O/c1-12-14(11-22-10-13-6-3-2-4-7-13)18(20)17-15(19)8-5-9-16(17)21-12/h2-9H,10-11H2,1H3,(H2,20,21)
InChIKeyMEMNVQVEPDAZNQ-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.98
Rot. Bonds4

About 5-fluoro-2-methyl-3-(phenylmethoxymethyl)quinolin-4-amine

5-fluoro-2-methyl-3-(phenylmethoxymethyl)quinolin-4-amine (PubChem CID 11098484) has the molecular formula C18H17FN2O and a molecular weight of 296.34 g/mol. Its IUPAC name is 5-fluoro-2-methyl-3-(phenylmethoxymethyl)quinolin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-methyl-3-(phenylmethoxymethyl)quinolin-4-amine
PubChem CID11098484
Molecular FormulaC18H17FN2O
Molecular Weight296.34 g/mol
Exact Mass296.13
IUPAC Name5-fluoro-2-methyl-3-(phenylmethoxymethyl)quinolin-4-amine
SMILESCc1nc2cccc(F)c2c(N)c1COCc1ccccc1
InChIInChI=1S/C18H17FN2O/c1-12-14(11-22-10-13-6-3-2-4-7-13)18(20)17-15(19)8-5-9-16(17)21-12/h2-9H,10-11H2,1H3,(H2,20,21)
InChIKeyMEMNVQVEPDAZNQ-UHFFFAOYSA-N
XLogP3.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Velnacrine
CID 3655
6-Methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 3075610
Suronacrine
CID 60601
1-Acridinol, 1,2,3,4-tetrahydro-9-amino-6-fluoro-
CID 3025607
1-Acridinol, 1,2,3,4-tetrahydro-6-fluoro-9-((phenylmethyl)amino)-
CID 3025610
1-Acridinol, 1,2,3,4-tetrahydro-9-(((3-fluorophenyl)methyl)amino)-
CID 3025619
9-Imino-6-(trifluoromethyl)-1,2,3,4,9,10-hexahydroacridin-1-ol
CID 3025608
1-Acridinol, 1,2,3,4-tetrahydro-9-(((4-fluorophenyl)methyl)amino)-
CID 3025620
1-Acridinol, 1,2,3,4-tetrahydro-9-(methylamino)-
CID 3025632
1-(3-{[(4-Amino-5-fluoro-2-methylquinolin-3-yl)methoxy]methyl}phenyl)-2,2,2-trifluoroethan-1-one
CID 11132948
(2Z)-but-2-enedioic acid; 9-{[(2-fluorophenyl)methyl]amino}-1,2,3,4-tetrahydroacridin-1-ol
CID 13756060
6-Fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-amine
CID 612726

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-3-(phenylmethoxymethyl)quinolin-4-amine?
The IUPAC name of 5-fluoro-2-methyl-3-(phenylmethoxymethyl)quinolin-4-amine (CID 11098484) is 5-fluoro-2-methyl-3-(phenylmethoxymethyl)quinolin-4-amine.
What is the SMILES notation for 5-fluoro-2-methyl-3-(phenylmethoxymethyl)quinolin-4-amine?
The canonical SMILES for 5-fluoro-2-methyl-3-(phenylmethoxymethyl)quinolin-4-amine is Cc1nc2cccc(F)c2c(N)c1COCc1ccccc1.
What is the InChIKey of 5-fluoro-2-methyl-3-(phenylmethoxymethyl)quinolin-4-amine?
The InChIKey is MEMNVQVEPDAZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-12-14(11-22-10-13-6-3-2-4-7-13)18(20)17-15(19)8-5-9-16(17)21-12/h2-9H,10-11H2,1H3,(H2,20,21).
What are the key properties of 5-fluoro-2-methyl-3-(phenylmethoxymethyl)quinolin-4-amine?
5-fluoro-2-methyl-3-(phenylmethoxymethyl)quinolin-4-amine has a molecular weight of 296.34 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-3-(phenylmethoxymethyl)quinolin-4-amine is sourced from PubChem (CID 11098484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).