2-(1-methylpyrazol-4-yl)quinoline-4-carboxylic acid

C14H11N3O2 — CID 6485392

IUPAC2-(1-methylpyrazol-4-yl)quinoline-4-carboxylic acid
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)
InChIKeyWWDZZNBSTJUJFC-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.33
Rot. Bonds2

About 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylic acid

2-(1-methylpyrazol-4-yl)quinoline-4-carboxylic acid (PubChem CID 6485392) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)quinoline-4-carboxylic acid
PubChem CID6485392
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(1-methylpyrazol-4-yl)quinoline-4-carboxylic acid
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)
InChIKeyWWDZZNBSTJUJFC-UHFFFAOYSA-N
XLogP2.33
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 10243
CID 10243
CID 24067
CID 24067
CID 24103
CID 24103
CID 26587
CID 26587
CID 976454
CID 976454
CID 3164943
CID 3164943
CID 6485411
CID 6485411
CID 9826115
CID 9826115
CID 6485380
CID 6485380
CID 3768281
CID 3768281
CID 21187
CID 21187
CID 3833115
CID 3833115

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylic acid (CID 6485392) is 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylic acid is Cn1cc(-c2cc(C(=O)O)c3ccccc3n2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylic acid?
The InChIKey is WWDZZNBSTJUJFC-UHFFFAOYSA-N. 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).
What are the key properties of 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylic acid?
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 6485392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).