7-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline

C18H18N6 — CID 169411487

IUPAC7-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline
SMILESCCc1nc(-c2ccc3c(C)cc(-c4cnn(C)c4)nc3c2)n[nH]1
InChIInChI=1S/C18H18N6/c1-4-17-21-18(23-22-17)12-5-6-14-11(2)7-15(20-16(14)8-12)13-9-19-24(3)10-13/h5-10H,4H2,1-3H3,(H,21,22,23)
InChIKeyUDKLAHJAJCMRSO-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.29
Rot. Bonds3

About 7-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline

7-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline (PubChem CID 169411487) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 7-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name7-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline
PubChem CID169411487
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name7-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline
SMILESCCc1nc(-c2ccc3c(C)cc(-c4cnn(C)c4)nc3c2)n[nH]1
InChIInChI=1S/C18H18N6/c1-4-17-21-18(23-22-17)12-5-6-14-11(2)7-15(20-16(14)8-12)13-9-19-24(3)10-13/h5-10H,4H2,1-3H3,(H,21,22,23)
InChIKeyUDKLAHJAJCMRSO-UHFFFAOYSA-N
XLogP3.29
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(dimethylsulfamoylamino)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline
CID 169416201
formic acid;4-methyl-2-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline
CID 171339678
3-iodo-5-(1-methylpyrazol-4-yl)-2H-indazole
CID 90391133
ethane;6-ethyl-8-methyl-3-(1-methylpyrazol-4-yl)isoquinoline
CID 145409460
2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
CID 169412361
N-[6-methoxy-4-methyl-2-(1-methylpyrazol-4-yl)quinolin-7-yl]acetamide
CID 169414607
5-chloro-3-(1-methylpyrazol-4-yl)-1H-1,2,4-triazole
CID 65199684
1-[2-[1-(4-fluorophenyl)pyrazol-4-yl]-4-methylquinolin-7-yl]imidazolidin-2-one
CID 169420450
6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875217
3-(1-methylpyrazol-4-yl)-5-phenyl-1H-1,2,4-triazole
CID 61343089
4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715379
3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxylic acid
CID 118959944

Frequently Asked Questions

What is the IUPAC name of 7-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline?
The IUPAC name of 7-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline (CID 169411487) is 7-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline.
What is the SMILES notation for 7-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline?
The canonical SMILES for 7-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline is CCc1nc(-c2ccc3c(C)cc(-c4cnn(C)c4)nc3c2)n[nH]1.
What is the InChIKey of 7-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline?
The InChIKey is UDKLAHJAJCMRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6/c1-4-17-21-18(23-22-17)12-5-6-14-11(2)7-15(20-16(14)8-12)13-9-19-24(3)10-13/h5-10H,4H2,1-3H3,(H,21,22,23).
What are the key properties of 7-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline?
7-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline has a molecular weight of 318.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methyl-2-(1-methylpyrazol-4-yl)quinoline is sourced from PubChem (CID 169411487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).