N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-quinazolin-4-yloxyacetamide

C21H19N5O3 — CID 2997996

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-quinazolin-4-yloxyacetamide
SMILESCc1c(NC(=O)COc2ncnc3ccccc23)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H19N5O3/c1-14-19(21(28)26(25(14)2)15-8-4-3-5-9-15)24-18(27)12-29-20-16-10-6-7-11-17(16)22-13-23-20/h3-11,13H,12H2,1-2H3,(H,24,27)
InChIKeyDZTFBXPIDJGIGP-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.45
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-quinazolin-4-yloxyacetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-quinazolin-4-yloxyacetamide (PubChem CID 2997996) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-quinazolin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-quinazolin-4-yloxyacetamide
PubChem CID2997996
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-quinazolin-4-yloxyacetamide
SMILESCc1c(NC(=O)COc2ncnc3ccccc23)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H19N5O3/c1-14-19(21(28)26(25(14)2)15-8-4-3-5-9-15)24-18(27)12-29-20-16-10-6-7-11-17(16)22-13-23-20/h3-11,13H,12H2,1-2H3,(H,24,27)
InChIKeyDZTFBXPIDJGIGP-UHFFFAOYSA-N
XLogP2.45
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-quinazolin-4-yloxyacetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-quinazolin-4-yloxyacetamide (CID 2997996) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-quinazolin-4-yloxyacetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-quinazolin-4-yloxyacetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-quinazolin-4-yloxyacetamide is Cc1c(NC(=O)COc2ncnc3ccccc23)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-quinazolin-4-yloxyacetamide?
The InChIKey is DZTFBXPIDJGIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-14-19(21(28)26(25(14)2)15-8-4-3-5-9-15)24-18(27)12-29-20-16-10-6-7-11-17(16)22-13-23-20/h3-11,13H,12H2,1-2H3,(H,24,27).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-quinazolin-4-yloxyacetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-quinazolin-4-yloxyacetamide has a molecular weight of 389.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-quinazolin-4-yloxyacetamide is sourced from PubChem (CID 2997996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).