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

C27H29N7O2 — CID 156830676

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

2-amino-3-methyl-N-[(5-morpholin-4-yl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide (PubChem CID 156830676) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(5-morpholin-4-yl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 2-amino-3-methyl-N-[(5-morpholin-4-yl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
• PubChem CID: 156830676
• Molecular Formula: C27H29N7O2
• Molecular Weight: 483.58 g/mol
• Exact Mass: 483.24
• IUPAC Name: 2-amino-3-methyl-N-[(5-morpholin-4-yl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
• SMILES: Cc1cc2cc(C(=O)N(Cc3ccc(N4CCOCC4)cn3)[C@H](C)c3ncccn3)ccc2nc1N
• InChI: InChI=1S/C27H29N7O2/c1-18-14-21-15-20(4-7-24(21)32-25(18)28)27(35)34(19(2)26-29-8-3-9-30-26)17-22-5-6-23(16-31-22)33-10-12-36-13-11-33/h3-9,14-16,19H,10-13,17H2,1-2H3,(H2,28,32)/t19-/m1/s1
• InChIKey: KQUYBWDIRHGICJ-LJQANCHMSA-N
• XLogP: 3.55
• TPSA: 110.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.58
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-amino-3-methyl-N-[(5-morpholin-4-yl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide (CID 156830676) is 2-amino-3-methyl-N-[(5-morpholin-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-morpholin-4-yl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide?

The canonical SMILES for 2-amino-3-methyl-N-[(5-morpholin-4-yl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide is Cc1cc2cc(C(=O)N(Cc3ccc(N4CCOCC4)cn3)[C@H](C)c3ncccn3)ccc2nc1N.

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

The InChIKey is KQUYBWDIRHGICJ-LJQANCHMSA-N. The full InChI is InChI=1S/C27H29N7O2/c1-18-14-21-15-20(4-7-24(21)32-25(18)28)27(35)34(19(2)26-29-8-3-9-30-26)17-22-5-6-23(16-31-22)33-10-12-36-13-11-33/h3-9,14-16,19H,10-13,17H2,1-2H3,(H2,28,32)/t19-/m1/s1.

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

2-amino-3-methyl-N-[(5-morpholin-4-yl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide has a molecular weight of 483.58 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-methyl-N-[(5-morpholin-4-yl-2-pyridinyl)methyl]-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide is sourced from PubChem (CID 156830676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).