2-amino-3-methyl-N-[[5-(oxan-4-yl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide

C28H30N6O2 — CID 156830132

About 2-amino-3-methyl-N-[[5-(oxan-4-yl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide

2-amino-3-methyl-N-[[5-(oxan-4-yl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide (PubChem CID 156830132) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[[5-(oxan-4-yl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 2-amino-3-methyl-N-[[5-(oxan-4-yl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
• PubChem CID: 156830132
• Molecular Formula: C28H30N6O2
• Molecular Weight: 482.59 g/mol
• Exact Mass: 482.24
• IUPAC Name: 2-amino-3-methyl-N-[[5-(oxan-4-yl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
• SMILES: Cc1cc2cc(C(=O)N(Cc3ccc(C4CCOCC4)cn3)[C@H](C)c3ncccn3)ccc2nc1N
• InChI: InChI=1S/C28H30N6O2/c1-18-14-23-15-21(5-7-25(23)33-26(18)29)28(35)34(19(2)27-30-10-3-11-31-27)17-24-6-4-22(16-32-24)20-8-12-36-13-9-20/h3-7,10-11,14-16,19-20H,8-9,12-13,17H2,1-2H3,(H2,29,33)/t19-/m1/s1
• InChIKey: FREQKNLRUXNZRX-LJQANCHMSA-N
• XLogP: 4.61
• TPSA: 107.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.59
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[[5-(oxan-4-yl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide?

The IUPAC name of 2-amino-3-methyl-N-[[5-(oxan-4-yl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide (CID 156830132) is 2-amino-3-methyl-N-[[5-(oxan-4-yl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide.

What is the SMILES notation for 2-amino-3-methyl-N-[[5-(oxan-4-yl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide?

The canonical SMILES for 2-amino-3-methyl-N-[[5-(oxan-4-yl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide is Cc1cc2cc(C(=O)N(Cc3ccc(C4CCOCC4)cn3)[C@H](C)c3ncccn3)ccc2nc1N.

What is the InChIKey of 2-amino-3-methyl-N-[[5-(oxan-4-yl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide?

The InChIKey is FREQKNLRUXNZRX-LJQANCHMSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-18-14-23-15-21(5-7-25(23)33-26(18)29)28(35)34(19(2)27-30-10-3-11-31-27)17-24-6-4-22(16-32-24)20-8-12-36-13-9-20/h3-7,10-11,14-16,19-20H,8-9,12-13,17H2,1-2H3,(H2,29,33)/t19-/m1/s1.

What are the key properties of 2-amino-3-methyl-N-[[5-(oxan-4-yl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide?

2-amino-3-methyl-N-[[5-(oxan-4-yl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide has a molecular weight of 482.59 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-methyl-N-[[5-(oxan-4-yl)-2-pyridinyl]methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide is sourced from PubChem (CID 156830132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).