2-[6-(dimethylamino)-3-pyridinyl]-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine

C26H26F2N6O — CID 59631326

About 2-[6-(dimethylamino)-3-pyridinyl]-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine

2-[6-(dimethylamino)-3-pyridinyl]-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine (PubChem CID 59631326) has the molecular formula C26H26F2N6O and a molecular weight of 476.53 g/mol. Its IUPAC name is 2-[6-(dimethylamino)-3-pyridinyl]-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine.

Molecular Properties

• Compound Name: 2-[6-(dimethylamino)-3-pyridinyl]-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine
• PubChem CID: 59631326
• Molecular Formula: C26H26F2N6O
• Molecular Weight: 476.53 g/mol
• Exact Mass: 476.21
• IUPAC Name: 2-[6-(dimethylamino)-3-pyridinyl]-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine
• SMILES: Cc1c(-c2ccc(N(C)C)nc2)nc2cc(F)cc(F)c2c1Nc1cncc(N2CCOCC2)c1
• InChI: InChI=1S/C26H26F2N6O/c1-16-25(17-4-5-23(30-13-17)33(2)3)32-22-11-18(27)10-21(28)24(22)26(16)31-19-12-20(15-29-14-19)34-6-8-35-9-7-34/h4-5,10-15H,6-9H2,1-3H3,(H,31,32)
• InChIKey: OAPLYQURHOBVKJ-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 66.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.53
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)-3-pyridinyl]-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine?

The IUPAC name of 2-[6-(dimethylamino)-3-pyridinyl]-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine (CID 59631326) is 2-[6-(dimethylamino)-3-pyridinyl]-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine.

What is the SMILES notation for 2-[6-(dimethylamino)-3-pyridinyl]-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine?

The canonical SMILES for 2-[6-(dimethylamino)-3-pyridinyl]-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine is Cc1c(-c2ccc(N(C)C)nc2)nc2cc(F)cc(F)c2c1Nc1cncc(N2CCOCC2)c1.

What is the InChIKey of 2-[6-(dimethylamino)-3-pyridinyl]-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine?

The InChIKey is OAPLYQURHOBVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O/c1-16-25(17-4-5-23(30-13-17)33(2)3)32-22-11-18(27)10-21(28)24(22)26(16)31-19-12-20(15-29-14-19)34-6-8-35-9-7-34/h4-5,10-15H,6-9H2,1-3H3,(H,31,32).

What are the key properties of 2-[6-(dimethylamino)-3-pyridinyl]-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine?

2-[6-(dimethylamino)-3-pyridinyl]-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine has a molecular weight of 476.53 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(dimethylamino)-3-pyridinyl]-5,7-difluoro-3-methyl-N-(5-morpholin-4-yl-3-pyridinyl)quinolin-4-amine is sourced from PubChem (CID 59631326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).