methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate

C15H13N3O2 — CID 141370295

IUPACmethyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(-c3cnn(C)c3)cc2c1
InChIInChI=1S/C15H13N3O2/c1-18-9-13(8-17-18)12-6-11-5-10(15(19)20-2)3-4-14(11)16-7-12/h3-9H,1-2H3
InChIKeyFBALKPOZIGIPHV-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.42
Rot. Bonds2

About methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate

methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate (PubChem CID 141370295) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate
PubChem CID141370295
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Namemethyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2ncc(-c3cnn(C)c3)cc2c1
InChIInChI=1S/C15H13N3O2/c1-18-9-13(8-17-18)12-6-11-5-10(15(19)20-2)3-4-14(11)16-7-12/h3-9H,1-2H3
InChIKeyFBALKPOZIGIPHV-UHFFFAOYSA-N
XLogP2.42
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methanone
CID 71554991
N-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethylidene]hydroxylamine
CID 141370272
methyl 6-sulfanylquinoline-3-carboxylate
CID 134532830
methyl 3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]benzoate
CID 122156362
3-fluoro-4-(1-methylpyrazol-4-yl)benzoic acid;methyl 3-fluoro-4-(1-methylpyrazol-4-yl)benzoate
CID 162091971
methyl 2-fluoro-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylate
CID 139447815
methyl 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-methylbenzoate
CID 118045392
N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-pyridin-4-ylacetamide
CID 138590612
N-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-carboxamide
CID 122184262
methyl 4-[[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]benzoate
CID 90468210
4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138588832
1-(1,3-benzothiazol-5-yl)-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 160883292

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate?
The IUPAC name of methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate (CID 141370295) is methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate.
What is the SMILES notation for methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate?
The canonical SMILES for methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate is COC(=O)c1ccc2ncc(-c3cnn(C)c3)cc2c1.
What is the InChIKey of methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate?
The InChIKey is FBALKPOZIGIPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-18-9-13(8-17-18)12-6-11-5-10(15(19)20-2)3-4-14(11)16-7-12/h3-9H,1-2H3.
What are the key properties of methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate?
methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate has a molecular weight of 267.29 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate is sourced from PubChem (CID 141370295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).