ethyl 2,5-dimethylpyrazolo[1,5-a]quinoline-3-carboxylate

C16H16N2O2 — CID 102144497

IUPACethyl 2,5-dimethylpyrazolo[1,5-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2c1cc(C)c1ccccc12
InChIInChI=1S/C16H16N2O2/c1-4-20-16(19)15-11(3)17-18-13-8-6-5-7-12(13)10(2)9-14(15)18/h5-9H,4H2,1-3H3
InChIKeyILOUVLFAVLFDBG-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.28
Rot. Bonds2

About ethyl 2,5-dimethylpyrazolo[1,5-a]quinoline-3-carboxylate

ethyl 2,5-dimethylpyrazolo[1,5-a]quinoline-3-carboxylate (PubChem CID 102144497) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is ethyl 2,5-dimethylpyrazolo[1,5-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dimethylpyrazolo[1,5-a]quinoline-3-carboxylate
PubChem CID102144497
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Nameethyl 2,5-dimethylpyrazolo[1,5-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2c1cc(C)c1ccccc12
InChIInChI=1S/C16H16N2O2/c1-4-20-16(19)15-11(3)17-18-13-8-6-5-7-12(13)10(2)9-14(15)18/h5-9H,4H2,1-3H3
InChIKeyILOUVLFAVLFDBG-UHFFFAOYSA-N
XLogP3.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate
CID 102144493
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl pyrazolo[1,5-c]quinazoline-2-carboxylate
CID 10610124
ethyl 2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 68503367
ethyl 13-methyl-8,10,12,15,16-pentazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene-14-carboxylate
CID 11358368
diethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 53487001
ethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate
CID 10848731
3-O-ethyl 4-O-prop-2-enyl 2-methylquinoline-3,4-dicarboxylate
CID 177389903
ethyl 1-ethyl-4-oxoquinoline-2-carboxylate
CID 13223148
ethyl 2,7-dimethyl-5-oxopyrazolo[5,1-b][1,3]oxazine-3-carboxylate
CID 13166083
ethyl 1-(dimethylcarbamoyl)-2-prop-2-enylindole-3-carboxylate
CID 72543908
ethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate
CID 102400135

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dimethylpyrazolo[1,5-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 2,5-dimethylpyrazolo[1,5-a]quinoline-3-carboxylate (CID 102144497) is ethyl 2,5-dimethylpyrazolo[1,5-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2,5-dimethylpyrazolo[1,5-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 2,5-dimethylpyrazolo[1,5-a]quinoline-3-carboxylate is CCOC(=O)c1c(C)nn2c1cc(C)c1ccccc12.
What is the InChIKey of ethyl 2,5-dimethylpyrazolo[1,5-a]quinoline-3-carboxylate?
The InChIKey is ILOUVLFAVLFDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-4-20-16(19)15-11(3)17-18-13-8-6-5-7-12(13)10(2)9-14(15)18/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 2,5-dimethylpyrazolo[1,5-a]quinoline-3-carboxylate?
ethyl 2,5-dimethylpyrazolo[1,5-a]quinoline-3-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dimethylpyrazolo[1,5-a]quinoline-3-carboxylate is sourced from PubChem (CID 102144497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).