2-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one

C24H30N6O2 — CID 136984169

About 2-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one

2-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one (PubChem CID 136984169) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one
• PubChem CID: 136984169
• Molecular Formula: C24H30N6O2
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.24
• IUPAC Name: 2-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one
• SMILES: CC(C)(O)C1CCN1c1nc(NC2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1
• InChI: InChI=1S/C24H30N6O2/c1-24(2,32)19-11-13-30(19)23-28-21(26-16-7-5-12-25-14-16)20(22(31)29-23)18-10-9-15-6-3-4-8-17(15)27-18/h3-4,6,8-10,16,19,25,32H,5,7,11-14H2,1-2H3,(H2,26,28,29,31)
• InChIKey: KZZWDKSFXNTAQI-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 106.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one?

The IUPAC name of 2-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one (CID 136984169) is 2-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one.

What is the SMILES notation for 2-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one?

The canonical SMILES for 2-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one is CC(C)(O)C1CCN1c1nc(NC2CCCNC2)c(-c2ccc3ccccc3n2)c(=O)[nH]1.

What is the InChIKey of 2-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one?

The InChIKey is KZZWDKSFXNTAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-24(2,32)19-11-13-30(19)23-28-21(26-16-7-5-12-25-14-16)20(22(31)29-23)18-10-9-15-6-3-4-8-17(15)27-18/h3-4,6,8-10,16,19,25,32H,5,7,11-14H2,1-2H3,(H2,26,28,29,31).

What are the key properties of 2-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one?

2-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one has a molecular weight of 434.54 g/mol, XLogP of 2.50, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-hydroxypropan-2-yl)azetidin-1-yl]-4-(piperidin-3-ylamino)-5-quinolin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136984169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).