N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide

C115H100N12O12 — CID 159043179

About N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide

N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide (PubChem CID 159043179) has the molecular formula C115H100N12O12 and a molecular weight of 1842.14 g/mol. Its IUPAC name is N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide
• PubChem CID: 159043179
• Molecular Formula: C115H100N12O12
• Molecular Weight: 1842.14 g/mol
• Exact Mass: 1840.76
• IUPAC Name: N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide
• SMILES: O=C(CCCc1ccccc1)Nc1nc2c(nc1-c1ccc(O)cc1)-c1ccc(CO)cc1CC2.O=C(CCc1ccccc1)Nc1nc2c(nc1-c1ccc(O)cc1)-c1ccc(CO)cc1CC2.O=C(Cc1ccc2ccccc2c1)Nc1nc2c(nc1-c1ccc(O)cc1)-c1ccc(CO)cc1CC2.O=C(Cc1ccccc1)Nc1nc2c(nc1-c1ccc(O)cc1)-c1ccc(CO)cc1CC2
• InChI: InChI=1S/C31H25N3O3.C29H27N3O3.C28H25N3O3.C27H23N3O3/c35-18-20-6-13-26-24(16-20)10-14-27-30(26)34-29(22-8-11-25(36)12-9-22)31(32-27)33-28(37)17-19-5-7-21-3-1-2-4-23(21)15-19;33-18-20-9-15-24-22(17-20)12-16-25-28(24)32-27(21-10-13-23(34)14-11-21)29(30-25)31-26(35)8-4-7-19-5-2-1-3-6-19;32-17-19-6-13-23-21(16-19)10-14-24-27(23)31-26(20-8-11-22(33)12-9-20)28(29-24)30-25(34)15-7-18-4-2-1-3-5-18;31-16-18-6-12-22-20(14-18)9-13-23-26(22)30-25(19-7-10-21(32)11-8-19)27(28-23)29-24(33)15-17-4-2-1-3-5-17/h1-9,11-13,15-16,35-36H,10,14,17-18H2,(H,32,33,37);1-3,5-6,9-11,13-15,17,33-34H,4,7-8,12,16,18H2,(H,30,31,35);1-6,8-9,11-13,16,32-33H,7,10,14-15,17H2,(H,29,30,34);1-8,10-12,14,31-32H,9,13,15-16H2,(H,28,29,33)
• InChIKey: JWIGYYNHXGNEHM-UHFFFAOYSA-N
• XLogP: 19.48
• TPSA: 381.36 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1842.14
LogP ≤ 5	19.48
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide?

The IUPAC name of N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide (CID 159043179) is N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide.

What is the SMILES notation for N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide?

The canonical SMILES for N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide is O=C(CCCc1ccccc1)Nc1nc2c(nc1-c1ccc(O)cc1)-c1ccc(CO)cc1CC2.O=C(CCc1ccccc1)Nc1nc2c(nc1-c1ccc(O)cc1)-c1ccc(CO)cc1CC2.O=C(Cc1ccc2ccccc2c1)Nc1nc2c(nc1-c1ccc(O)cc1)-c1ccc(CO)cc1CC2.O=C(Cc1ccccc1)Nc1nc2c(nc1-c1ccc(O)cc1)-c1ccc(CO)cc1CC2.

What is the InChIKey of N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide?

The InChIKey is JWIGYYNHXGNEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O3.C29H27N3O3.C28H25N3O3.C27H23N3O3/c35-18-20-6-13-26-24(16-20)10-14-27-30(26)34-29(22-8-11-25(36)12-9-22)31(32-27)33-28(37)17-19-5-7-21-3-1-2-4-23(21)15-19;33-18-20-9-15-24-22(17-20)12-16-25-28(24)32-27(21-10-13-23(34)14-11-21)29(30-25)31-26(35)8-4-7-19-5-2-1-3-6-19;32-17-19-6-13-23-21(16-19)10-14-24-27(23)31-26(20-8-11-22(33)12-9-20)28(29-24)30-25(34)15-7-18-4-2-1-3-5-18;31-16-18-6-12-22-20(14-18)9-13-23-26(22)30-25(19-7-10-21(32)11-8-19)27(28-23)29-24(33)15-17-4-2-1-3-5-17/h1-9,11-13,15-16,35-36H,10,14,17-18H2,(H,32,33,37);1-3,5-6,9-11,13-15,17,33-34H,4,7-8,12,16,18H2,(H,30,31,35);1-6,8-9,11-13,16,32-33H,7,10,14-15,17H2,(H,29,30,34);1-8,10-12,14,31-32H,9,13,15-16H2,(H,28,29,33).

What are the key properties of N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide?

N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide has a molecular weight of 1842.14 g/mol, XLogP of 19.48, 23 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 159043179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).