4-methoxy-7-methylquinolin-1-ium;4-methoxy-7-methylquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium

C34H36F3N4O3+3 — CID 91034412

IUPAC4-methoxy-7-methylquinolin-1-ium;4-methoxy-7-methylquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium
SMILESCOc1cc(C)[nH+]c2c(C(F)(F)F)cccc12.COc1cc(N)[nH+]c2cc(C)ccc12.COc1cc[nH+]c2cc(C)ccc12
InChIInChI=1S/C12H10F3NO.C11H12N2O.C11H11NO/c1-7-6-10(17-2)8-4-3-5-9(11(8)16-7)12(13,14)15;1-7-3-4-8-9(5-7)13-11(12)6-10(8)14-2;1-8-3-4-9-10(7-8)12-6-5-11(9)13-2/h3-6H,1-2H3;3-6H,1-2H3,(H2,12,13);3-7H,1-2H3/p+3
InChIKeyVOFATGDWKJZBJR-UHFFFAOYSA-Q
MW605.68 g/mol
LogP6.51
Rot. Bonds3

About 4-methoxy-7-methylquinolin-1-ium;4-methoxy-7-methylquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium

4-methoxy-7-methylquinolin-1-ium;4-methoxy-7-methylquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium (PubChem CID 91034412) has the molecular formula C34H36F3N4O3+3 and a molecular weight of 605.68 g/mol. Its IUPAC name is 4-methoxy-7-methylquinolin-1-ium;4-methoxy-7-methylquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium.

Molecular Properties

Compound Name4-methoxy-7-methylquinolin-1-ium;4-methoxy-7-methylquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium
PubChem CID91034412
Molecular FormulaC34H36F3N4O3+3
Molecular Weight605.68 g/mol
Exact Mass605.27
IUPAC Name4-methoxy-7-methylquinolin-1-ium;4-methoxy-7-methylquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium
SMILESCOc1cc(C)[nH+]c2c(C(F)(F)F)cccc12.COc1cc(N)[nH+]c2cc(C)ccc12.COc1cc[nH+]c2cc(C)ccc12
InChIInChI=1S/C12H10F3NO.C11H12N2O.C11H11NO/c1-7-6-10(17-2)8-4-3-5-9(11(8)16-7)12(13,14)15;1-7-3-4-8-9(5-7)13-11(12)6-10(8)14-2;1-8-3-4-9-10(7-8)12-6-5-11(9)13-2/h3-6H,1-2H3;3-6H,1-2H3,(H2,12,13);3-7H,1-2H3/p+3
InChIKeyVOFATGDWKJZBJR-UHFFFAOYSA-Q
XLogP6.51
TPSA96.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.68
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

7-({[3-(4-Methoxypyridin-3-Yl)propyl]amino}methyl)quinolin-2-Amine
CID 124145845
7-{3-(Aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine
CID 146025976
7-{3-(Aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine
CID 146025977
3-(6-Methoxy-3-pyridyl)-5-(6-quinolyl)pyridin-2-amine
CID 53312320
N-[3-[3-[3-fluoro-5-methoxy-4-[(oxan-4-ylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]pyrido[3,4-b]pyrazin-5-amine
CID 155288412
N-[3-[3-[3-fluoro-5-methoxy-4-[(propan-2-ylamino)methyl]phenyl]-2-methylphenyl]-2-methylphenyl]pyrido[3,4-b]pyrazin-5-amine
CID 155288653
6-(4-methoxyphenyl)-8-[3-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine
CID 155806436
6-(4-methoxyphenyl)-8-[3-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine
CID 155811117
7-{[3-({[(Pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
CID 155926525
7-{[3-({[2-(Pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine
CID 155926528
2-Amino-4-(4-methoxyphenyl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile
CID 396057
2-Amino-4-(4-methoxynaphthalen-1-yl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile
CID 396058

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-methylquinolin-1-ium;4-methoxy-7-methylquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium?
The IUPAC name of 4-methoxy-7-methylquinolin-1-ium;4-methoxy-7-methylquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium (CID 91034412) is 4-methoxy-7-methylquinolin-1-ium;4-methoxy-7-methylquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium.
What is the SMILES notation for 4-methoxy-7-methylquinolin-1-ium;4-methoxy-7-methylquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium?
The canonical SMILES for 4-methoxy-7-methylquinolin-1-ium;4-methoxy-7-methylquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium is COc1cc(C)[nH+]c2c(C(F)(F)F)cccc12.COc1cc(N)[nH+]c2cc(C)ccc12.COc1cc[nH+]c2cc(C)ccc12.
What is the InChIKey of 4-methoxy-7-methylquinolin-1-ium;4-methoxy-7-methylquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium?
The InChIKey is VOFATGDWKJZBJR-UHFFFAOYSA-Q. The full InChI is InChI=1S/C12H10F3NO.C11H12N2O.C11H11NO/c1-7-6-10(17-2)8-4-3-5-9(11(8)16-7)12(13,14)15;1-7-3-4-8-9(5-7)13-11(12)6-10(8)14-2;1-8-3-4-9-10(7-8)12-6-5-11(9)13-2/h3-6H,1-2H3;3-6H,1-2H3,(H2,12,13);3-7H,1-2H3/p+3.
What are the key properties of 4-methoxy-7-methylquinolin-1-ium;4-methoxy-7-methylquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium?
4-methoxy-7-methylquinolin-1-ium;4-methoxy-7-methylquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium has a molecular weight of 605.68 g/mol, XLogP of 6.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-methylquinolin-1-ium;4-methoxy-7-methylquinolin-1-ium-2-amine;4-methoxy-2-methyl-8-(trifluoromethyl)quinolin-1-ium is sourced from PubChem (CID 91034412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).