(1-methylimidazol-4-yl)-quinolin-5-ylmethanamine

C14H14N4 — CID 114023159

IUPAC(1-methylimidazol-4-yl)-quinolin-5-ylmethanamine
SMILESCn1cnc(C(N)c2cccc3ncccc23)c1
InChIInChI=1S/C14H14N4/c1-18-8-13(17-9-18)14(15)11-4-2-6-12-10(11)5-3-7-16-12/h2-9,14H,15H2,1H3
InChIKeyHBZRLHOFUZUTSF-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.02
Rot. Bonds2

About (1-methylimidazol-4-yl)-quinolin-5-ylmethanamine

(1-methylimidazol-4-yl)-quinolin-5-ylmethanamine (PubChem CID 114023159) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-quinolin-5-ylmethanamine.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-quinolin-5-ylmethanamine
PubChem CID114023159
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name(1-methylimidazol-4-yl)-quinolin-5-ylmethanamine
SMILESCn1cnc(C(N)c2cccc3ncccc23)c1
InChIInChI=1S/C14H14N4/c1-18-8-13(17-9-18)14(15)11-4-2-6-12-10(11)5-3-7-16-12/h2-9,14H,15H2,1H3
InChIKeyHBZRLHOFUZUTSF-UHFFFAOYSA-N
XLogP2.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methylpyrazin-2-yl)-quinolin-5-ylmethanamine
CID 105171984
(1R)-1-quinolin-5-ylethanamine
CID 55277010
quinolin-5-yl(thiadiazol-4-yl)methanamine
CID 105171903
CID 158967293
CID 158967293
(2-chlorophenyl)-quinolin-5-ylmethanamine
CID 81231454
(2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine
CID 107985270
[(1-ethylimidazol-4-yl)-quinolin-5-ylmethyl]hydrazine
CID 114273033
(2-methylfuran-3-yl)-quinolin-5-ylmethanamine
CID 104789805
(1R)-1-quinolin-5-ylethane-1,2-diamine
CID 66516625
1-quinolin-5-ylethane-1,2-diamine
CID 55275195
(3,5-difluorophenyl)-quinolin-5-ylmethanamine
CID 81231952
(2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine
CID 107977950

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-quinolin-5-ylmethanamine?
The IUPAC name of (1-methylimidazol-4-yl)-quinolin-5-ylmethanamine (CID 114023159) is (1-methylimidazol-4-yl)-quinolin-5-ylmethanamine.
What is the SMILES notation for (1-methylimidazol-4-yl)-quinolin-5-ylmethanamine?
The canonical SMILES for (1-methylimidazol-4-yl)-quinolin-5-ylmethanamine is Cn1cnc(C(N)c2cccc3ncccc23)c1.
What is the InChIKey of (1-methylimidazol-4-yl)-quinolin-5-ylmethanamine?
The InChIKey is HBZRLHOFUZUTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-18-8-13(17-9-18)14(15)11-4-2-6-12-10(11)5-3-7-16-12/h2-9,14H,15H2,1H3.
What are the key properties of (1-methylimidazol-4-yl)-quinolin-5-ylmethanamine?
(1-methylimidazol-4-yl)-quinolin-5-ylmethanamine has a molecular weight of 238.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl)-quinolin-5-ylmethanamine is sourced from PubChem (CID 114023159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).