N-propan-2-yl-2-[3-[6-(1H-pyrazol-4-yl)quinazolin-2-yl]phenoxy]acetamide

C22H21N5O2 — CID 66826298

IUPACN-propan-2-yl-2-[3-[6-(1H-pyrazol-4-yl)quinazolin-2-yl]phenoxy]acetamide
SMILESCC(C)NC(=O)COc1cccc(-c2ncc3cc(-c4cn[nH]c4)ccc3n2)c1
InChIInChI=1S/C22H21N5O2/c1-14(2)26-21(28)13-29-19-5-3-4-16(9-19)22-23-10-17-8-15(6-7-20(17)27-22)18-11-24-25-12-18/h3-12,14H,13H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyZJAGCRXEFMBAQJ-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.59
Rot. Bonds6

About N-propan-2-yl-2-[3-[6-(1H-pyrazol-4-yl)quinazolin-2-yl]phenoxy]acetamide

N-propan-2-yl-2-[3-[6-(1H-pyrazol-4-yl)quinazolin-2-yl]phenoxy]acetamide (PubChem CID 66826298) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-propan-2-yl-2-[3-[6-(1H-pyrazol-4-yl)quinazolin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[3-[6-(1H-pyrazol-4-yl)quinazolin-2-yl]phenoxy]acetamide
PubChem CID66826298
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-propan-2-yl-2-[3-[6-(1H-pyrazol-4-yl)quinazolin-2-yl]phenoxy]acetamide
SMILESCC(C)NC(=O)COc1cccc(-c2ncc3cc(-c4cn[nH]c4)ccc3n2)c1
InChIInChI=1S/C22H21N5O2/c1-14(2)26-21(28)13-29-19-5-3-4-16(9-19)22-23-10-17-8-15(6-7-20(17)27-22)18-11-24-25-12-18/h3-12,14H,13H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyZJAGCRXEFMBAQJ-UHFFFAOYSA-N
XLogP3.59
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[6-fluoro-4-(1H-pyrazol-4-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 151368304
N-[(2R)-butan-2-yl]-2-[3-[6-methoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide
CID 142464785
N-propan-2-yl-2-[3-[1-[4-(1H-pyrazol-4-yl)anilino]imidazo[1,5-a]pyridin-3-yl]phenoxy]acetamide
CID 166983834
N-[(2S)-butan-2-yl]-2-[3-[6-(2-fluoroethoxy)-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide
CID 142464805
2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 11950170
2-[3-[4-(1H-indazol-5-ylamino)-6-methylpyrimidin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 118334773
N-cyclobutyl-2-[3-[6-methyl-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]acetamide
CID 159077163
2-[3-[4-[(6-amino-3-pyridinyl)amino]-6-ethoxyquinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 152605303
2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 139481726
2-[3-[6-ethoxy-4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]phenoxy]-N-propylacetamide
CID 146345847
2-[3-[4-(4-hydroxyanilino)thieno[3,2-d]pyrimidin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 151789083
2-[3-[7-fluoro-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 155227876

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[3-[6-(1H-pyrazol-4-yl)quinazolin-2-yl]phenoxy]acetamide?
The IUPAC name of N-propan-2-yl-2-[3-[6-(1H-pyrazol-4-yl)quinazolin-2-yl]phenoxy]acetamide (CID 66826298) is N-propan-2-yl-2-[3-[6-(1H-pyrazol-4-yl)quinazolin-2-yl]phenoxy]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[3-[6-(1H-pyrazol-4-yl)quinazolin-2-yl]phenoxy]acetamide?
The canonical SMILES for N-propan-2-yl-2-[3-[6-(1H-pyrazol-4-yl)quinazolin-2-yl]phenoxy]acetamide is CC(C)NC(=O)COc1cccc(-c2ncc3cc(-c4cn[nH]c4)ccc3n2)c1.
What is the InChIKey of N-propan-2-yl-2-[3-[6-(1H-pyrazol-4-yl)quinazolin-2-yl]phenoxy]acetamide?
The InChIKey is ZJAGCRXEFMBAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14(2)26-21(28)13-29-19-5-3-4-16(9-19)22-23-10-17-8-15(6-7-20(17)27-22)18-11-24-25-12-18/h3-12,14H,13H2,1-2H3,(H,24,25)(H,26,28).
What are the key properties of N-propan-2-yl-2-[3-[6-(1H-pyrazol-4-yl)quinazolin-2-yl]phenoxy]acetamide?
N-propan-2-yl-2-[3-[6-(1H-pyrazol-4-yl)quinazolin-2-yl]phenoxy]acetamide has a molecular weight of 387.44 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[3-[6-(1H-pyrazol-4-yl)quinazolin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 66826298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).