N-benzyl-2-(3-fluorophenyl)quinolin-5-amine;2-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinolin-5-amine;bis(N-[(4-methylphenyl)methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine);6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine

C113H95F2N19 — CID 161348397

About N-benzyl-2-(3-fluorophenyl)quinolin-5-amine;2-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinolin-5-amine;bis(N-[(4-methylphenyl)methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine);6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine

N-benzyl-2-(3-fluorophenyl)quinolin-5-amine;2-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinolin-5-amine;bis(N-[(4-methylphenyl)methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine);6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine (PubChem CID 161348397) has the molecular formula C113H95F2N19 and a molecular weight of 1757.13 g/mol. Its IUPAC name is N-benzyl-2-(3-fluorophenyl)quinolin-5-amine;2-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinolin-5-amine;bis(N-[(4-methylphenyl)methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine);6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine.

Molecular Properties

• Compound Name: N-benzyl-2-(3-fluorophenyl)quinolin-5-amine;2-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinolin-5-amine;bis(N-[(4-methylphenyl)methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine);6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine
• PubChem CID: 161348397
• Molecular Formula: C113H95F2N19
• Molecular Weight: 1757.13 g/mol
• Exact Mass: 1755.80
• IUPAC Name: N-benzyl-2-(3-fluorophenyl)quinolin-5-amine;2-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinolin-5-amine;bis(N-[(4-methylphenyl)methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine);6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine
• SMILES: Cc1cc(-c2cc3ccnc(NCc4cccnc4)c3cn2)ccn1.Cc1cc(-c2ccc(CNc3cccc4nc(-c5cccc(F)c5)ccc34)cn2)ccn1.Cc1ccc(CNc2nccc3cc(-c4ccnc(C)c4)ncc23)cc1.Cc1ccc(CNc2nccc3cc(-c4ccnc(C)c4)ncc23)cc1.Fc1cccc(-c2ccc3c(NCc4ccccc4)cccc3n2)c1
• InChI: InChI=1S/C27H21FN4.C22H17FN2.2C22H20N4.C20H17N5/c1-18-14-21(12-13-29-18)24-10-8-19(16-30-24)17-31-26-6-3-7-27-23(26)9-11-25(32-27)20-4-2-5-22(28)15-20;23-18-9-4-8-17(14-18)20-13-12-19-21(10-5-11-22(19)25-20)24-15-16-6-2-1-3-7-16;2*1-15-3-5-17(6-4-15)13-26-22-20-14-25-21(12-18(20)7-10-24-22)19-8-9-23-16(2)11-19;1-14-9-17(5-7-22-14)19-10-16-4-8-23-20(18(16)13-24-19)25-12-15-3-2-6-21-11-15/h2-16,31H,17H2,1H3;1-14,24H,15H2;2*3-12,14H,13H2,1-2H3,(H,24,26);2-11,13H,12H2,1H3,(H,23,25)
• InChIKey: VNPNCXLKZHYZFF-UHFFFAOYSA-N
• XLogP: 25.92
• TPSA: 240.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1757.13
LogP ≤ 5	25.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-fluorophenyl)quinolin-5-amine;2-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinolin-5-amine;bis(N-[(4-methylphenyl)methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine);6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine?

The IUPAC name of N-benzyl-2-(3-fluorophenyl)quinolin-5-amine;2-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinolin-5-amine;bis(N-[(4-methylphenyl)methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine);6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine (CID 161348397) is N-benzyl-2-(3-fluorophenyl)quinolin-5-amine;2-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinolin-5-amine;bis(N-[(4-methylphenyl)methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine);6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine.

What is the SMILES notation for N-benzyl-2-(3-fluorophenyl)quinolin-5-amine;2-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinolin-5-amine;bis(N-[(4-methylphenyl)methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine);6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine?

The canonical SMILES for N-benzyl-2-(3-fluorophenyl)quinolin-5-amine;2-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinolin-5-amine;bis(N-[(4-methylphenyl)methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine);6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine is Cc1cc(-c2cc3ccnc(NCc4cccnc4)c3cn2)ccn1.Cc1cc(-c2ccc(CNc3cccc4nc(-c5cccc(F)c5)ccc34)cn2)ccn1.Cc1ccc(CNc2nccc3cc(-c4ccnc(C)c4)ncc23)cc1.Cc1ccc(CNc2nccc3cc(-c4ccnc(C)c4)ncc23)cc1.Fc1cccc(-c2ccc3c(NCc4ccccc4)cccc3n2)c1.

What is the InChIKey of N-benzyl-2-(3-fluorophenyl)quinolin-5-amine;2-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinolin-5-amine;bis(N-[(4-methylphenyl)methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine);6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine?

The InChIKey is VNPNCXLKZHYZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4.C22H17FN2.2C22H20N4.C20H17N5/c1-18-14-21(12-13-29-18)24-10-8-19(16-30-24)17-31-26-6-3-7-27-23(26)9-11-25(32-27)20-4-2-5-22(28)15-20;23-18-9-4-8-17(14-18)20-13-12-19-21(10-5-11-22(19)25-20)24-15-16-6-2-1-3-7-16;2*1-15-3-5-17(6-4-15)13-26-22-20-14-25-21(12-18(20)7-10-24-22)19-8-9-23-16(2)11-19;1-14-9-17(5-7-22-14)19-10-16-4-8-23-20(18(16)13-24-19)25-12-15-3-2-6-21-11-15/h2-16,31H,17H2,1H3;1-14,24H,15H2;2*3-12,14H,13H2,1-2H3,(H,24,26);2-11,13H,12H2,1H3,(H,23,25).

What are the key properties of N-benzyl-2-(3-fluorophenyl)quinolin-5-amine;2-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinolin-5-amine;bis(N-[(4-methylphenyl)methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine);6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine?

N-benzyl-2-(3-fluorophenyl)quinolin-5-amine;2-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinolin-5-amine;bis(N-[(4-methylphenyl)methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine);6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine has a molecular weight of 1757.13 g/mol, XLogP of 25.92, 21 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-(3-fluorophenyl)quinolin-5-amine;2-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinolin-5-amine;bis(N-[(4-methylphenyl)methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine);6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine is sourced from PubChem (CID 161348397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).