2-(1-ethylpyrazol-4-yl)-7-methoxy-8-methyl-1H-quinolin-4-one

C16H17N3O2 — CID 68946177

IUPAC2-(1-ethylpyrazol-4-yl)-7-methoxy-8-methyl-1H-quinolin-4-one
SMILESCCn1cc(-c2cc(=O)c3ccc(OC)c(C)c3[nH]2)cn1
InChIInChI=1S/C16H17N3O2/c1-4-19-9-11(8-17-19)13-7-14(20)12-5-6-15(21-3)10(2)16(12)18-13/h5-9H,4H2,1-3H3,(H,18,20)
InChIKeySUCCRJTZTNBHGM-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.73
Rot. Bonds3

About 2-(1-ethylpyrazol-4-yl)-7-methoxy-8-methyl-1H-quinolin-4-one

2-(1-ethylpyrazol-4-yl)-7-methoxy-8-methyl-1H-quinolin-4-one (PubChem CID 68946177) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-7-methoxy-8-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-7-methoxy-8-methyl-1H-quinolin-4-one
PubChem CID68946177
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(1-ethylpyrazol-4-yl)-7-methoxy-8-methyl-1H-quinolin-4-one
SMILESCCn1cc(-c2cc(=O)c3ccc(OC)c(C)c3[nH]2)cn1
InChIInChI=1S/C16H17N3O2/c1-4-19-9-11(8-17-19)13-7-14(20)12-5-6-15(21-3)10(2)16(12)18-13/h5-9H,4H2,1-3H3,(H,18,20)
InChIKeySUCCRJTZTNBHGM-UHFFFAOYSA-N
XLogP2.73
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-7-methoxy-8-methyl-1H-quinolin-4-one?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-7-methoxy-8-methyl-1H-quinolin-4-one (CID 68946177) is 2-(1-ethylpyrazol-4-yl)-7-methoxy-8-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-7-methoxy-8-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-7-methoxy-8-methyl-1H-quinolin-4-one is CCn1cc(-c2cc(=O)c3ccc(OC)c(C)c3[nH]2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-7-methoxy-8-methyl-1H-quinolin-4-one?
The InChIKey is SUCCRJTZTNBHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-4-19-9-11(8-17-19)13-7-14(20)12-5-6-15(21-3)10(2)16(12)18-13/h5-9H,4H2,1-3H3,(H,18,20).
What are the key properties of 2-(1-ethylpyrazol-4-yl)-7-methoxy-8-methyl-1H-quinolin-4-one?
2-(1-ethylpyrazol-4-yl)-7-methoxy-8-methyl-1H-quinolin-4-one has a molecular weight of 283.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-7-methoxy-8-methyl-1H-quinolin-4-one is sourced from PubChem (CID 68946177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).