[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone

C19H22ClN7O — CID 135198764

About [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone

[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 135198764) has the molecular formula C19H22ClN7O and a molecular weight of 399.89 g/mol. Its IUPAC name is [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone
• PubChem CID: 135198764
• Molecular Formula: C19H22ClN7O
• Molecular Weight: 399.89 g/mol
• Exact Mass: 399.16
• IUPAC Name: [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone
• SMILES: CNC1CCN(C(=O)c2nc(Nc3cc(C)[nH]n3)c3cc(Cl)ccc3n2)CC1
• InChI: InChI=1S/C19H22ClN7O/c1-11-9-16(26-25-11)23-17-14-10-12(20)3-4-15(14)22-18(24-17)19(28)27-7-5-13(21-2)6-8-27/h3-4,9-10,13,21H,5-8H2,1-2H3,(H2,22,23,24,25,26)
• InChIKey: SQNQEVSSPGGWOF-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 98.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.89
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone?

The IUPAC name of [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone (CID 135198764) is [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone.

What is the SMILES notation for [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone?

The canonical SMILES for [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2nc(Nc3cc(C)[nH]n3)c3cc(Cl)ccc3n2)CC1.

What is the InChIKey of [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone?

The InChIKey is SQNQEVSSPGGWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN7O/c1-11-9-16(26-25-11)23-17-14-10-12(20)3-4-15(14)22-18(24-17)19(28)27-7-5-13(21-2)6-8-27/h3-4,9-10,13,21H,5-8H2,1-2H3,(H2,22,23,24,25,26).

What are the key properties of [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone?

[6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 399.89 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 135198764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).