2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate

C14H10N3O2- — CID 7017781

IUPAC2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
SMILESCn1cc(-c2cc(C(=O)[O-])c3ccccc3n2)cn1
InChIInChI=1S/C14H11N3O2/c1-17-8-9(7-15-17)13-6-11(14(18)19)10-4-2-3-5-12(10)16-13/h2-8H,1H3,(H,18,19)/p-1
InChIKeyWWDZZNBSTJUJFC-UHFFFAOYSA-M
MW252.25 g/mol
LogP1.00
Rot. Bonds2

About 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate

2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate (PubChem CID 7017781) has the molecular formula C14H10N3O2- and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
PubChem CID7017781
Molecular FormulaC14H10N3O2-
Molecular Weight252.25 g/mol
Exact Mass252.08
IUPAC Name2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
SMILESCn1cc(-c2cc(C(=O)[O-])c3ccccc3n2)cn1
InChIInChI=1S/C14H11N3O2/c1-17-8-9(7-15-17)13-6-11(14(18)19)10-4-2-3-5-12(10)16-13/h2-8H,1H3,(H,18,19)/p-1
InChIKeyWWDZZNBSTJUJFC-UHFFFAOYSA-M
XLogP1.00
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19513034
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
aminothiourea;methyl 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 90741884
N-(2-adamantyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513013
sodium 2-phenylquinoline-4-carboxylate
CID 23691042
N-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513019
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518443
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518467
ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)
CID 139141812
N-(3-chloro-2-methylphenyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512920

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate?
The IUPAC name of 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate (CID 7017781) is 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate is Cn1cc(-c2cc(C(=O)[O-])c3ccccc3n2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate?
The InChIKey is WWDZZNBSTJUJFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11N3O2/c1-17-8-9(7-15-17)13-6-11(14(18)19)10-4-2-3-5-12(10)16-13/h2-8H,1H3,(H,18,19)/p-1.
What are the key properties of 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate?
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate has a molecular weight of 252.25 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate is sourced from PubChem (CID 7017781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).