8-methoxy-5-(1H-1,2,4-triazol-5-yl)quinoline

C12H10N4O — CID 56858566

IUPAC8-methoxy-5-(1H-1,2,4-triazol-5-yl)quinoline
SMILESCOc1ccc(-c2ncn[nH]2)c2cccnc12
InChIInChI=1S/C12H10N4O/c1-17-10-5-4-9(12-14-7-15-16-12)8-3-2-6-13-11(8)10/h2-7H,1H3,(H,14,15,16)
InChIKeyKHOZQCNTJJPTAR-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.03
Rot. Bonds2

About 8-methoxy-5-(1H-1,2,4-triazol-5-yl)quinoline

8-methoxy-5-(1H-1,2,4-triazol-5-yl)quinoline (PubChem CID 56858566) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 8-methoxy-5-(1H-1,2,4-triazol-5-yl)quinoline.

Molecular Properties

Compound Name8-methoxy-5-(1H-1,2,4-triazol-5-yl)quinoline
PubChem CID56858566
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name8-methoxy-5-(1H-1,2,4-triazol-5-yl)quinoline
SMILESCOc1ccc(-c2ncn[nH]2)c2cccnc12
InChIInChI=1S/C12H10N4O/c1-17-10-5-4-9(12-14-7-15-16-12)8-3-2-6-13-11(8)10/h2-7H,1H3,(H,14,15,16)
InChIKeyKHOZQCNTJJPTAR-UHFFFAOYSA-N
XLogP2.03
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(8-methoxyquinolin-5-yl)-1H-indazol-4-amine
CID 39220575
5-(3-bromo-2-methoxyphenyl)-1H-1,2,4-triazole
CID 170626613
8-methoxy-N,N-dimethylquinolin-5-amine
CID 67991214
3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile
CID 39231570
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde
CID 82039986
5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid
CID 56716559
2-[3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)phenyl]ethanamine
CID 82039989
3-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039973
8-methoxy-5-piperidin-1-ylquinoline
CID 86218648
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039992
5-[3,5-dichloro-4-(2,3,4-trimethoxyphenyl)-1H-pyrrol-2-yl]-1H-1,2,4-triazole
CID 136948443
[1-(8-methoxyquinolin-5-yl)cyclopropyl]methanamine
CID 117329038

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-(1H-1,2,4-triazol-5-yl)quinoline?
The IUPAC name of 8-methoxy-5-(1H-1,2,4-triazol-5-yl)quinoline (CID 56858566) is 8-methoxy-5-(1H-1,2,4-triazol-5-yl)quinoline.
What is the SMILES notation for 8-methoxy-5-(1H-1,2,4-triazol-5-yl)quinoline?
The canonical SMILES for 8-methoxy-5-(1H-1,2,4-triazol-5-yl)quinoline is COc1ccc(-c2ncn[nH]2)c2cccnc12.
What is the InChIKey of 8-methoxy-5-(1H-1,2,4-triazol-5-yl)quinoline?
The InChIKey is KHOZQCNTJJPTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-17-10-5-4-9(12-14-7-15-16-12)8-3-2-6-13-11(8)10/h2-7H,1H3,(H,14,15,16).
What are the key properties of 8-methoxy-5-(1H-1,2,4-triazol-5-yl)quinoline?
8-methoxy-5-(1H-1,2,4-triazol-5-yl)quinoline has a molecular weight of 226.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-(1H-1,2,4-triazol-5-yl)quinoline is sourced from PubChem (CID 56858566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).