5-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]pentanoic acid;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline

C105H105N7O12 — CID 160888788

About 5-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]pentanoic acid;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline

5-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]pentanoic acid;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline (PubChem CID 160888788) has the molecular formula C105H105N7O12 and a molecular weight of 1657.03 g/mol. Its IUPAC name is 5-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]pentanoic acid;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline.

Molecular Properties

• Compound Name: 5-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]pentanoic acid;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline
• PubChem CID: 160888788
• Molecular Formula: C105H105N7O12
• Molecular Weight: 1657.03 g/mol
• Exact Mass: 1655.78
• IUPAC Name: 5-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]pentanoic acid;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline
• SMILES: CC(=O)CCCOc1ccc(OCc2ccc3ccccc3n2)cc1.CN(CCc1ccccc1)C(=O)Cc1cc(CCC(=O)O)cc2c(-c3ccccc3)cccc12.CN(CCc1ccccc1)C(=O)Cc1cc(CCCCC(=O)O)cc2c(OCc3ccccc3)cccc12.c1cc(OCCCc2ncn[nH]2)cc(OCc2ccc3ccccc3n2)c1
• InChI: InChI=1S/C33H35NO4.C30H29NO3.C21H20N4O2.C21H21NO3/c1-34(20-19-25-11-4-2-5-12-25)32(35)23-28-21-27(15-8-9-18-33(36)37)22-30-29(28)16-10-17-31(30)38-24-26-13-6-3-7-14-26;1-31(18-17-22-9-4-2-5-10-22)29(32)21-25-19-23(15-16-30(33)34)20-28-26(13-8-14-27(25)28)24-11-6-3-7-12-24;1-2-8-20-16(5-1)10-11-17(24-20)14-27-19-7-3-6-18(13-19)26-12-4-9-21-22-15-23-25-21;1-16(23)5-4-14-24-19-10-12-20(13-11-19)25-15-18-9-8-17-6-2-3-7-21(17)22-18/h2-7,10-14,16-17,21-22H,8-9,15,18-20,23-24H2,1H3,(H,36,37);2-14,19-20H,15-18,21H2,1H3,(H,33,34);1-3,5-8,10-11,13,15H,4,9,12,14H2,(H,22,23,25);2-3,6-13H,4-5,14-15H2,1H3
• InChIKey: SNZHHJDXMDTINM-UHFFFAOYSA-N
• XLogP: 20.73
• TPSA: 245.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 38
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1657.03
LogP ≤ 5	20.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]pentanoic acid;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline?

The IUPAC name of 5-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]pentanoic acid;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline (CID 160888788) is 5-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]pentanoic acid;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline.

What is the SMILES notation for 5-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]pentanoic acid;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline?

The canonical SMILES for 5-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]pentanoic acid;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline is CC(=O)CCCOc1ccc(OCc2ccc3ccccc3n2)cc1.CN(CCc1ccccc1)C(=O)Cc1cc(CCC(=O)O)cc2c(-c3ccccc3)cccc12.CN(CCc1ccccc1)C(=O)Cc1cc(CCCCC(=O)O)cc2c(OCc3ccccc3)cccc12.c1cc(OCCCc2ncn[nH]2)cc(OCc2ccc3ccccc3n2)c1.

What is the InChIKey of 5-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]pentanoic acid;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline?

The InChIKey is SNZHHJDXMDTINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35NO4.C30H29NO3.C21H20N4O2.C21H21NO3/c1-34(20-19-25-11-4-2-5-12-25)32(35)23-28-21-27(15-8-9-18-33(36)37)22-30-29(28)16-10-17-31(30)38-24-26-13-6-3-7-14-26;1-31(18-17-22-9-4-2-5-10-22)29(32)21-25-19-23(15-16-30(33)34)20-28-26(13-8-14-27(25)28)24-11-6-3-7-12-24;1-2-8-20-16(5-1)10-11-17(24-20)14-27-19-7-3-6-18(13-19)26-12-4-9-21-22-15-23-25-21;1-16(23)5-4-14-24-19-10-12-20(13-11-19)25-15-18-9-8-17-6-2-3-7-21(17)22-18/h2-7,10-14,16-17,21-22H,8-9,15,18-20,23-24H2,1H3,(H,36,37);2-14,19-20H,15-18,21H2,1H3,(H,33,34);1-3,5-8,10-11,13,15H,4,9,12,14H2,(H,22,23,25);2-3,6-13H,4-5,14-15H2,1H3.

What are the key properties of 5-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]pentanoic acid;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline?

5-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]pentanoic acid;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline has a molecular weight of 1657.03 g/mol, XLogP of 20.73, 38 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylmethoxynaphthalen-2-yl]pentanoic acid;3-[4-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-8-phenylnaphthalen-2-yl]propanoic acid;5-[4-(quinolin-2-ylmethoxy)phenoxy]pentan-2-one;2-[[3-[3-(1H-1,2,4-triazol-5-yl)propoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 160888788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).