3-[3,5-dimethyl-1-(1,3-oxazol-2-ylmethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide

C20H18N6O3 — CID 118172377

IUPAC3-[3,5-dimethyl-1-(1,3-oxazol-2-ylmethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
SMILESCc1nn(Cc2ncco2)c(C)c1-c1c(C(N)=O)nc2ccccc2c1C(N)=O
InChIInChI=1S/C20H18N6O3/c1-10-15(11(2)26(25-10)9-14-23-7-8-29-14)17-16(19(21)27)12-5-3-4-6-13(12)24-18(17)20(22)28/h3-8H,9H2,1-2H3,(H2,21,27)(H2,22,28)
InChIKeyWEYVQTQAKXNOES-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.95
Rot. Bonds5

About 3-[3,5-dimethyl-1-(1,3-oxazol-2-ylmethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide

3-[3,5-dimethyl-1-(1,3-oxazol-2-ylmethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide (PubChem CID 118172377) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(1,3-oxazol-2-ylmethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(1,3-oxazol-2-ylmethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
PubChem CID118172377
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name3-[3,5-dimethyl-1-(1,3-oxazol-2-ylmethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
SMILESCc1nn(Cc2ncco2)c(C)c1-c1c(C(N)=O)nc2ccccc2c1C(N)=O
InChIInChI=1S/C20H18N6O3/c1-10-15(11(2)26(25-10)9-14-23-7-8-29-14)17-16(19(21)27)12-5-3-4-6-13(12)24-18(17)20(22)28/h3-8H,9H2,1-2H3,(H2,21,27)(H2,22,28)
InChIKeyWEYVQTQAKXNOES-UHFFFAOYSA-N
XLogP1.95
TPSA142.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(1,3-oxazol-2-ylmethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide?
The IUPAC name of 3-[3,5-dimethyl-1-(1,3-oxazol-2-ylmethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide (CID 118172377) is 3-[3,5-dimethyl-1-(1,3-oxazol-2-ylmethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(1,3-oxazol-2-ylmethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(1,3-oxazol-2-ylmethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide is Cc1nn(Cc2ncco2)c(C)c1-c1c(C(N)=O)nc2ccccc2c1C(N)=O.
What is the InChIKey of 3-[3,5-dimethyl-1-(1,3-oxazol-2-ylmethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide?
The InChIKey is WEYVQTQAKXNOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-10-15(11(2)26(25-10)9-14-23-7-8-29-14)17-16(19(21)27)12-5-3-4-6-13(12)24-18(17)20(22)28/h3-8H,9H2,1-2H3,(H2,21,27)(H2,22,28).
What are the key properties of 3-[3,5-dimethyl-1-(1,3-oxazol-2-ylmethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide?
3-[3,5-dimethyl-1-(1,3-oxazol-2-ylmethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide has a molecular weight of 390.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(1,3-oxazol-2-ylmethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide is sourced from PubChem (CID 118172377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).