2,8-dimethyl-7-(1-methylpyrazol-4-yl)quinoline

C15H15N3 — CID 70983985

IUPAC2,8-dimethyl-7-(1-methylpyrazol-4-yl)quinoline
SMILESCc1ccc2ccc(-c3cnn(C)c3)c(C)c2n1
InChIInChI=1S/C15H15N3/c1-10-4-5-12-6-7-14(11(2)15(12)17-10)13-8-16-18(3)9-13/h4-9H,1-3H3
InChIKeyLEKMSTJBCYDYLT-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.25
Rot. Bonds1

About 2,8-dimethyl-7-(1-methylpyrazol-4-yl)quinoline

2,8-dimethyl-7-(1-methylpyrazol-4-yl)quinoline (PubChem CID 70983985) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2,8-dimethyl-7-(1-methylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name2,8-dimethyl-7-(1-methylpyrazol-4-yl)quinoline
PubChem CID70983985
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2,8-dimethyl-7-(1-methylpyrazol-4-yl)quinoline
SMILESCc1ccc2ccc(-c3cnn(C)c3)c(C)c2n1
InChIInChI=1S/C15H15N3/c1-10-4-5-12-6-7-14(11(2)15(12)17-10)13-8-16-18(3)9-13/h4-9H,1-3H3
InChIKeyLEKMSTJBCYDYLT-UHFFFAOYSA-N
XLogP3.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dimethyl-3-propylphenyl)-1-methylpyrazole
CID 145091367
3-chloro-2-methyl-4-(1-methylpyrazol-4-yl)aniline
CID 171916562
[2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 171364559
4-(2-fluoro-4-methylphenyl)-1-methylpyrazole
CID 121373425
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
[2-(1-methylpyrazol-4-yl)phenyl]phosphane
CID 166648081
1-methyl-4-naphthalen-1-ylpyrazole
CID 97034296
2,5-dimethyl-3-(1-methylpyrazol-4-yl)aniline
CID 165494673
4-(2-fluoro-5-methylphenyl)-1-methylpyrazole
CID 59578603
3,4-dimethyl-5-(1-methylpyrazol-4-yl)aniline
CID 165495050
2-methyl-9-[4-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 59010507

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-7-(1-methylpyrazol-4-yl)quinoline?
The IUPAC name of 2,8-dimethyl-7-(1-methylpyrazol-4-yl)quinoline (CID 70983985) is 2,8-dimethyl-7-(1-methylpyrazol-4-yl)quinoline.
What is the SMILES notation for 2,8-dimethyl-7-(1-methylpyrazol-4-yl)quinoline?
The canonical SMILES for 2,8-dimethyl-7-(1-methylpyrazol-4-yl)quinoline is Cc1ccc2ccc(-c3cnn(C)c3)c(C)c2n1.
What is the InChIKey of 2,8-dimethyl-7-(1-methylpyrazol-4-yl)quinoline?
The InChIKey is LEKMSTJBCYDYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-10-4-5-12-6-7-14(11(2)15(12)17-10)13-8-16-18(3)9-13/h4-9H,1-3H3.
What are the key properties of 2,8-dimethyl-7-(1-methylpyrazol-4-yl)quinoline?
2,8-dimethyl-7-(1-methylpyrazol-4-yl)quinoline has a molecular weight of 237.31 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-7-(1-methylpyrazol-4-yl)quinoline is sourced from PubChem (CID 70983985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).