4-[1H-imidazol-5-yl(methoxy)methyl]quinoline;dihydrochloride

C14H15Cl2N3O — CID 23499218

IUPAC4-[1H-imidazol-5-yl(methoxy)methyl]quinoline;dihydrochloride
SMILESCOC(c1cnc[nH]1)c1ccnc2ccccc12.Cl.Cl
InChIInChI=1S/C14H13N3O.2ClH/c1-18-14(13-8-15-9-17-13)11-6-7-16-12-5-3-2-4-10(11)12;;/h2-9,14H,1H3,(H,15,17);2*1H
InChIKeyFDXFUQWJVMPZHM-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.54
Rot. Bonds3

About 4-[1H-imidazol-5-yl(methoxy)methyl]quinoline;dihydrochloride

4-[1H-imidazol-5-yl(methoxy)methyl]quinoline;dihydrochloride (PubChem CID 23499218) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 4-[1H-imidazol-5-yl(methoxy)methyl]quinoline;dihydrochloride.

Molecular Properties

Compound Name4-[1H-imidazol-5-yl(methoxy)methyl]quinoline;dihydrochloride
PubChem CID23499218
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name4-[1H-imidazol-5-yl(methoxy)methyl]quinoline;dihydrochloride
SMILESCOC(c1cnc[nH]1)c1ccnc2ccccc12.Cl.Cl
InChIInChI=1S/C14H13N3O.2ClH/c1-18-14(13-8-15-9-17-13)11-6-7-16-12-5-3-2-4-10(11)12;;/h2-9,14H,1H3,(H,15,17);2*1H
InChIKeyFDXFUQWJVMPZHM-UHFFFAOYSA-N
XLogP3.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049
4-(1H-imidazol-5-yl)quinoline
CID 11063321
CID 160608048
CID 160608048
methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride
CID 171217015
(1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171236618
1-[1-(1H-imidazol-5-yl)ethyl]isoquinoline
CID 59751466
2-methoxy-N-methyl-1-quinolin-4-ylethanamine
CID 105165529
(4-methoxyphenyl)-quinolin-4-ylmethanol
CID 63893984
1H-imidazol-5-yl(naphthalen-1-yl)methanol
CID 10376336
5-[1H-imidazol-5-yl(phenyl)methyl]-N,N-dimethylquinolin-3-amine
CID 59438663
1-(3-methoxy-4-pyridinyl)-2-quinolin-4-ylethanamine
CID 105065744
(3-methoxy-4-pyridinyl)-quinolin-5-ylmethanol
CID 105066393

Frequently Asked Questions

What is the IUPAC name of 4-[1H-imidazol-5-yl(methoxy)methyl]quinoline;dihydrochloride?
The IUPAC name of 4-[1H-imidazol-5-yl(methoxy)methyl]quinoline;dihydrochloride (CID 23499218) is 4-[1H-imidazol-5-yl(methoxy)methyl]quinoline;dihydrochloride.
What is the SMILES notation for 4-[1H-imidazol-5-yl(methoxy)methyl]quinoline;dihydrochloride?
The canonical SMILES for 4-[1H-imidazol-5-yl(methoxy)methyl]quinoline;dihydrochloride is COC(c1cnc[nH]1)c1ccnc2ccccc12.Cl.Cl.
What is the InChIKey of 4-[1H-imidazol-5-yl(methoxy)methyl]quinoline;dihydrochloride?
The InChIKey is FDXFUQWJVMPZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O.2ClH/c1-18-14(13-8-15-9-17-13)11-6-7-16-12-5-3-2-4-10(11)12;;/h2-9,14H,1H3,(H,15,17);2*1H.
What are the key properties of 4-[1H-imidazol-5-yl(methoxy)methyl]quinoline;dihydrochloride?
4-[1H-imidazol-5-yl(methoxy)methyl]quinoline;dihydrochloride has a molecular weight of 312.20 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1H-imidazol-5-yl(methoxy)methyl]quinoline;dihydrochloride is sourced from PubChem (CID 23499218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).