[(4-fluoro-2-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl] carbamate

C21H19FN6O2 — CID 140558404

About [(4-fluoro-2-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl] carbamate

[(4-fluoro-2-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl] carbamate (PubChem CID 140558404) has the molecular formula C21H19FN6O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is [(4-fluoro-2-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl] carbamate.

Molecular Properties

• Compound Name: [(4-fluoro-2-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl] carbamate
• PubChem CID: 140558404
• Molecular Formula: C21H19FN6O2
• Molecular Weight: 406.42 g/mol
• Exact Mass: 406.16
• IUPAC Name: [(4-fluoro-2-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl] carbamate
• SMILES: Cc1cc(Nc2nc(C(OC(N)=O)c3ccc(F)cc3C)nc3ccccc23)n[nH]1
• InChI: InChI=1S/C21H19FN6O2/c1-11-9-13(22)7-8-14(11)18(30-21(23)29)20-24-16-6-4-3-5-15(16)19(26-20)25-17-10-12(2)27-28-17/h3-10,18H,1-2H3,(H2,23,29)(H2,24,25,26,27,28)
• InChIKey: HTJMZGGYMNUCJW-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 118.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.42
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(4-fluoro-2-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl] carbamate?

The IUPAC name of [(4-fluoro-2-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl] carbamate (CID 140558404) is [(4-fluoro-2-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl] carbamate.

What is the SMILES notation for [(4-fluoro-2-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl] carbamate?

The canonical SMILES for [(4-fluoro-2-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl] carbamate is Cc1cc(Nc2nc(C(OC(N)=O)c3ccc(F)cc3C)nc3ccccc23)n[nH]1.

What is the InChIKey of [(4-fluoro-2-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl] carbamate?

The InChIKey is HTJMZGGYMNUCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O2/c1-11-9-13(22)7-8-14(11)18(30-21(23)29)20-24-16-6-4-3-5-15(16)19(26-20)25-17-10-12(2)27-28-17/h3-10,18H,1-2H3,(H2,23,29)(H2,24,25,26,27,28).

What are the key properties of [(4-fluoro-2-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl] carbamate?

[(4-fluoro-2-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl] carbamate has a molecular weight of 406.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(4-fluoro-2-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl] carbamate is sourced from PubChem (CID 140558404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).