2-[(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide

C21H20FN5O2 — CID 51936715

IUPAC2-[(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C21H20FN5O2/c1-23-18(28)12-27-17-6-4-3-5-15(17)21(29)26(2)20(27)16-11-24-25-19(16)13-7-9-14(22)10-8-13/h3-11,20H,12H2,1-2H3,(H,23,28)(H,24,25)/t20-/m0/s1
InChIKeyHKXPEWHRNWGLCE-FQEVSTJZSA-N
MW393.42 g/mol
LogP2.55
Rot. Bonds4

About 2-[(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide

2-[(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide (PubChem CID 51936715) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-[(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
PubChem CID51936715
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name2-[(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C21H20FN5O2/c1-23-18(28)12-27-17-6-4-3-5-15(17)21(29)26(2)20(27)16-11-24-25-19(16)13-7-9-14(22)10-8-13/h3-11,20H,12H2,1-2H3,(H,23,28)(H,24,25)/t20-/m0/s1
InChIKeyHKXPEWHRNWGLCE-FQEVSTJZSA-N
XLogP2.55
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide (CID 51936715) is 2-[(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide is CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of 2-[(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The InChIKey is HKXPEWHRNWGLCE-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-23-18(28)12-27-17-6-4-3-5-15(17)21(29)26(2)20(27)16-11-24-25-19(16)13-7-9-14(22)10-8-13/h3-11,20H,12H2,1-2H3,(H,23,28)(H,24,25)/t20-/m0/s1.
What are the key properties of 2-[(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
2-[(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide has a molecular weight of 393.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide is sourced from PubChem (CID 51936715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).