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

C123H116N12O8 — CID 157118513

IUPACN-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide
SMILESO=C(CCCc1ccccc1)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(CO)cc1CC2.O=C(CCc1ccccc1)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(CO)cc1CC2.O=C(Cc1ccc2ccccc2c1)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(CO)cc1CC2.O=C(Cc1ccccc1)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(CO)cc1CC2
InChIInChI=1S/C33H29N3O2.C31H31N3O2.C30H29N3O2.C29H27N3O2/c37-21-24-11-15-28-27(19-24)14-17-29-32(28)34-30(16-12-22-6-2-1-3-7-22)33(35-29)36-31(38)20-23-10-13-25-8-4-5-9-26(25)18-23;35-21-24-14-17-26-25(20-24)16-19-27-30(26)32-28(18-15-23-10-5-2-6-11-23)31(33-27)34-29(36)13-7-12-22-8-3-1-4-9-22;34-20-23-11-15-25-24(19-23)14-17-26-29(25)31-27(16-12-21-7-3-1-4-8-21)30(32-26)33-28(35)18-13-22-9-5-2-6-10-22;33-19-22-11-14-24-23(17-22)13-16-25-28(24)30-26(15-12-20-7-3-1-4-8-20)29(31-25)32-27(34)18-21-9-5-2-6-10-21/h1-11,13,15,18-19,37H,12,14,16-17,20-21H2,(H,35,36,38);1-6,8-11,14,17,20,35H,7,12-13,15-16,18-19,21H2,(H,33,34,36);1-11,15,19,34H,12-14,16-18,20H2,(H,32,33,35);1-11,14,17,33H,12-13,15-16,18-19H2,(H,31,32,34)
InChIKeyAHRKAAKSXXXMFP-UHFFFAOYSA-N
MW1890.36 g/mol
LogP21.13
Rot. Bonds31

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

N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide (PubChem CID 157118513) has the molecular formula C123H116N12O8 and a molecular weight of 1890.36 g/mol. Its IUPAC name is N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide
PubChem CID157118513
Molecular FormulaC123H116N12O8
Molecular Weight1890.36 g/mol
Exact Mass1888.90
IUPAC NameN-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide
SMILESO=C(CCCc1ccccc1)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(CO)cc1CC2.O=C(CCc1ccccc1)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(CO)cc1CC2.O=C(Cc1ccc2ccccc2c1)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(CO)cc1CC2.O=C(Cc1ccccc1)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(CO)cc1CC2
InChIInChI=1S/C33H29N3O2.C31H31N3O2.C30H29N3O2.C29H27N3O2/c37-21-24-11-15-28-27(19-24)14-17-29-32(28)34-30(16-12-22-6-2-1-3-7-22)33(35-29)36-31(38)20-23-10-13-25-8-4-5-9-26(25)18-23;35-21-24-14-17-26-25(20-24)16-19-27-30(26)32-28(18-15-23-10-5-2-6-11-23)31(33-27)34-29(36)13-7-12-22-8-3-1-4-9-22;34-20-23-11-15-25-24(19-23)14-17-26-29(25)31-27(16-12-21-7-3-1-4-8-21)30(32-26)33-28(35)18-13-22-9-5-2-6-10-22;33-19-22-11-14-24-23(17-22)13-16-25-28(24)30-26(15-12-20-7-3-1-4-8-20)29(31-25)32-27(34)18-21-9-5-2-6-10-21/h1-11,13,15,18-19,37H,12,14,16-17,20-21H2,(H,35,36,38);1-6,8-11,14,17,20,35H,7,12-13,15-16,18-19,21H2,(H,33,34,36);1-11,15,19,34H,12-14,16-18,20H2,(H,32,33,35);1-11,14,17,33H,12-13,15-16,18-19H2,(H,31,32,34)
InChIKeyAHRKAAKSXXXMFP-UHFFFAOYSA-N
XLogP21.13
TPSA300.44 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds31
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001890.36
LogP ≤ 521.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

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

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Frequently Asked Questions

What is the IUPAC name of N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide (CID 157118513) is N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide is O=C(CCCc1ccccc1)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(CO)cc1CC2.O=C(CCc1ccccc1)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(CO)cc1CC2.O=C(Cc1ccc2ccccc2c1)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(CO)cc1CC2.O=C(Cc1ccccc1)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(CO)cc1CC2.
What is the InChIKey of N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide?
The InChIKey is AHRKAAKSXXXMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3O2.C31H31N3O2.C30H29N3O2.C29H27N3O2/c37-21-24-11-15-28-27(19-24)14-17-29-32(28)34-30(16-12-22-6-2-1-3-7-22)33(35-29)36-31(38)20-23-10-13-25-8-4-5-9-26(25)18-23;35-21-24-14-17-26-25(20-24)16-19-27-30(26)32-28(18-15-23-10-5-2-6-11-23)31(33-27)34-29(36)13-7-12-22-8-3-1-4-9-22;34-20-23-11-15-25-24(19-23)14-17-26-29(25)31-27(16-12-21-7-3-1-4-8-21)30(32-26)33-28(35)18-13-22-9-5-2-6-10-22;33-19-22-11-14-24-23(17-22)13-16-25-28(24)30-26(15-12-20-7-3-1-4-8-20)29(31-25)32-27(34)18-21-9-5-2-6-10-21/h1-11,13,15,18-19,37H,12,14,16-17,20-21H2,(H,35,36,38);1-6,8-11,14,17,20,35H,7,12-13,15-16,18-19,21H2,(H,33,34,36);1-11,15,19,34H,12-14,16-18,20H2,(H,32,33,35);1-11,14,17,33H,12-13,15-16,18-19H2,(H,31,32,34).
What are the key properties of N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide?
N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide has a molecular weight of 1890.36 g/mol, XLogP of 21.13, 31 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-phenylacetamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide;N-[8-(hydroxymethyl)-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 157118513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).