methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]amino]methyl]pyridine-3-carboxylate

C26H24FN5O3 — CID 156830044

About methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]amino]methyl]pyridine-3-carboxylate

methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]amino]methyl]pyridine-3-carboxylate (PubChem CID 156830044) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]amino]methyl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]amino]methyl]pyridine-3-carboxylate
• PubChem CID: 156830044
• Molecular Formula: C26H24FN5O3
• Molecular Weight: 473.51 g/mol
• Exact Mass: 473.19
• IUPAC Name: methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]amino]methyl]pyridine-3-carboxylate
• SMILES: COC(=O)c1ccc(CN(C(=O)c2ccc3nc(N)c(C)cc3c2)[C@H](C)c2ncccc2F)nc1
• InChI: InChI=1S/C26H24FN5O3/c1-15-11-19-12-17(7-9-22(19)31-24(15)28)25(33)32(16(2)23-21(27)5-4-10-29-23)14-20-8-6-18(13-30-20)26(34)35-3/h4-13,16H,14H2,1-3H3,(H2,28,31)/t16-/m1/s1
• InChIKey: ZJFBLNOCHJWDTE-MRXNPFEDSA-N
• XLogP: 4.24
• TPSA: 111.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.51
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]amino]methyl]pyridine-3-carboxylate?

The IUPAC name of methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]amino]methyl]pyridine-3-carboxylate (CID 156830044) is methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]amino]methyl]pyridine-3-carboxylate.

What is the SMILES notation for methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]amino]methyl]pyridine-3-carboxylate?

The canonical SMILES for methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]amino]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CN(C(=O)c2ccc3nc(N)c(C)cc3c2)[C@H](C)c2ncccc2F)nc1.

What is the InChIKey of methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]amino]methyl]pyridine-3-carboxylate?

The InChIKey is ZJFBLNOCHJWDTE-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H24FN5O3/c1-15-11-19-12-17(7-9-22(19)31-24(15)28)25(33)32(16(2)23-21(27)5-4-10-29-23)14-20-8-6-18(13-30-20)26(34)35-3/h4-13,16H,14H2,1-3H3,(H2,28,31)/t16-/m1/s1.

What are the key properties of methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]amino]methyl]pyridine-3-carboxylate?

methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]amino]methyl]pyridine-3-carboxylate has a molecular weight of 473.51 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]amino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 156830044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).