N-[2-(difluoromethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-8-yl]acetamide

C15H14F2N6O — CID 123201413

IUPACN-[2-(difluoromethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-8-yl]acetamide
SMILESCC(=O)Nc1cccc2c(Nc3cc(C)[nH]n3)nc(C(F)F)nc12
InChIInChI=1S/C15H14F2N6O/c1-7-6-11(23-22-7)19-14-9-4-3-5-10(18-8(2)24)12(9)20-15(21-14)13(16)17/h3-6,13H,1-2H3,(H,18,24)(H2,19,20,21,22,23)
InChIKeyFJICVGYIBBTTTK-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.30
Rot. Bonds4

About N-[2-(difluoromethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-8-yl]acetamide

N-[2-(difluoromethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-8-yl]acetamide (PubChem CID 123201413) has the molecular formula C15H14F2N6O and a molecular weight of 332.31 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-8-yl]acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-8-yl]acetamide
PubChem CID123201413
Molecular FormulaC15H14F2N6O
Molecular Weight332.31 g/mol
Exact Mass332.12
IUPAC NameN-[2-(difluoromethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-8-yl]acetamide
SMILESCC(=O)Nc1cccc2c(Nc3cc(C)[nH]n3)nc(C(F)F)nc12
InChIInChI=1S/C15H14F2N6O/c1-7-6-11(23-22-7)19-14-9-4-3-5-10(18-8(2)24)12(9)20-15(21-14)13(16)17/h3-6,13H,1-2H3,(H,18,24)(H2,19,20,21,22,23)
InChIKeyFJICVGYIBBTTTK-UHFFFAOYSA-N
XLogP3.30
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-8-yl]acetamide?
The IUPAC name of N-[2-(difluoromethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-8-yl]acetamide (CID 123201413) is N-[2-(difluoromethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-8-yl]acetamide.
What is the SMILES notation for N-[2-(difluoromethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-8-yl]acetamide?
The canonical SMILES for N-[2-(difluoromethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-8-yl]acetamide is CC(=O)Nc1cccc2c(Nc3cc(C)[nH]n3)nc(C(F)F)nc12.
What is the InChIKey of N-[2-(difluoromethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-8-yl]acetamide?
The InChIKey is FJICVGYIBBTTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6O/c1-7-6-11(23-22-7)19-14-9-4-3-5-10(18-8(2)24)12(9)20-15(21-14)13(16)17/h3-6,13H,1-2H3,(H,18,24)(H2,19,20,21,22,23).
What are the key properties of N-[2-(difluoromethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-8-yl]acetamide?
N-[2-(difluoromethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-8-yl]acetamide has a molecular weight of 332.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-8-yl]acetamide is sourced from PubChem (CID 123201413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).