3-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-[4-(hydroxymethyl)phenyl]-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid

C126H101F6N15O16 — CID 161173293

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-[4-(hydroxymethyl)phenyl]-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid
SMILESCOc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccc(CO)cc1.COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1.O=C(O)c1ccc2nc(-c3ccc(CO)cc3)c(N3CCCc4cc(F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc(CO)cc3)c(N3CCCc4ccccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCCc4cc(OC(F)(F)F)ccc43)nc2c1
InChIInChI=1S/C26H23N3O4.C25H17F4N3O3.2C25H20FN3O3.C25H21N3O3/c1-33-20-9-11-23-18(13-20)3-2-12-29(23)25-24(17-6-4-16(15-30)5-7-17)27-21-10-8-19(26(31)32)14-22(21)28-25;26-17-6-3-14(4-7-17)22-23(31-20-13-16(24(33)34)5-9-19(20)30-22)32-11-1-2-15-12-18(8-10-21(15)32)35-25(27,28)29;1-32-19-9-11-22-16(13-19)3-2-12-29(22)24-23(15-4-7-18(26)8-5-15)27-20-10-6-17(25(30)31)14-21(20)28-24;26-19-8-10-22-17(12-19)2-1-11-29(22)24-23(16-5-3-15(14-30)4-6-16)27-20-9-7-18(25(31)32)13-21(20)28-24;29-15-16-7-9-18(10-8-16)23-24(28-13-3-5-17-4-1-2-6-22(17)28)27-21-14-19(25(30)31)11-12-20(21)26-23/h4-11,13-14,30H,2-3,12,15H2,1H3,(H,31,32);3-10,12-13H,1-2,11H2,(H,33,34);4-11,13-14H,2-3,12H2,1H3,(H,30,31);3-10,12-13,30H,1-2,11,14H2,(H,31,32);1-2,4,6-12,14,29H,3,5,13,15H2,(H,30,31)
InChIKeyURLYWGHZSDJAFP-UHFFFAOYSA-N
MW2195.27 g/mol
LogP25.21
Rot. Bonds21

About 3-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-[4-(hydroxymethyl)phenyl]-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid

3-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-[4-(hydroxymethyl)phenyl]-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid (PubChem CID 161173293) has the molecular formula C126H101F6N15O16 and a molecular weight of 2195.27 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-[4-(hydroxymethyl)phenyl]-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-[4-(hydroxymethyl)phenyl]-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid
PubChem CID161173293
Molecular FormulaC126H101F6N15O16
Molecular Weight2195.27 g/mol
Exact Mass2193.75
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-[4-(hydroxymethyl)phenyl]-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid
SMILESCOc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccc(CO)cc1.COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1.O=C(O)c1ccc2nc(-c3ccc(CO)cc3)c(N3CCCc4cc(F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc(CO)cc3)c(N3CCCc4ccccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCCc4cc(OC(F)(F)F)ccc43)nc2c1
InChIInChI=1S/C26H23N3O4.C25H17F4N3O3.2C25H20FN3O3.C25H21N3O3/c1-33-20-9-11-23-18(13-20)3-2-12-29(23)25-24(17-6-4-16(15-30)5-7-17)27-21-10-8-19(26(31)32)14-22(21)28-25;26-17-6-3-14(4-7-17)22-23(31-20-13-16(24(33)34)5-9-19(20)30-22)32-11-1-2-15-12-18(8-10-21(15)32)35-25(27,28)29;1-32-19-9-11-22-16(13-19)3-2-12-29(22)24-23(15-4-7-18(26)8-5-15)27-20-10-6-17(25(30)31)14-21(20)28-24;26-19-8-10-22-17(12-19)2-1-11-29(22)24-23(16-5-3-15(14-30)4-6-16)27-20-9-7-18(25(31)32)13-21(20)28-24;29-15-16-7-9-18(10-8-16)23-24(28-13-3-5-17-4-1-2-6-22(17)28)27-21-14-19(25(30)31)11-12-20(21)26-23/h4-11,13-14,30H,2-3,12,15H2,1H3,(H,31,32);3-10,12-13H,1-2,11H2,(H,33,34);4-11,13-14H,2-3,12H2,1H3,(H,30,31);3-10,12-13,30H,1-2,11,14H2,(H,31,32);1-2,4,6-12,14,29H,3,5,13,15H2,(H,30,31)
InChIKeyURLYWGHZSDJAFP-UHFFFAOYSA-N
XLogP25.21
TPSA419.98 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002195.27
LogP ≤ 525.21
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 3-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-[4-(hydroxymethyl)phenyl]-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid with MolForge

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Related Compounds

3-(6-Methoxy-3,4-dihydroquinolin-1(2H)-yl)-2-phenylquinoxaline-6-carboxylic acid
CID 50991306
3-(4-(4-Methoxyphenyl)piperazin-1-yl)-2-phenylquinoxaline-6-carboxylic acid
CID 50992020
3-(4-Fluorophenyl)-2-(4-(4-methoxyphenyl)piperidin-1-yl)quinoxaline-6-carboxylic acid
CID 50992299
2-(4-Fluorophenyl)-3-(6-methoxy-1,2,3,4-tetrahydroquinolin-1-yl)quinoxaline-6-carboxylic acid
CID 57520026
2-(4-Fluorophenyl)-3-(7-methoxy-1,2,3,4-tetrahydroquinolin-1-yl)quinoxaline-6-carboxylic acid
CID 68194140
Methyl 2-(4-fluorophenyl)-3-(6-methoxy-1,2,3,4-tetrahydroquinolin-1-yl)quinoxaline-6-carboxylate
CID 68194013
3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)quinoxaline-6-carboxylic acid
CID 68349839
2-(4-fluorophenyl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid
CID 70645705
3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid
CID 70645706
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid
CID 70645719
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid
CID 70645750
2-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid
CID 70645758

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-[4-(hydroxymethyl)phenyl]-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-[4-(hydroxymethyl)phenyl]-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid (CID 161173293) is 3-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-[4-(hydroxymethyl)phenyl]-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-[4-(hydroxymethyl)phenyl]-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-[4-(hydroxymethyl)phenyl]-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid is COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccc(CO)cc1.COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1.O=C(O)c1ccc2nc(-c3ccc(CO)cc3)c(N3CCCc4cc(F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc(CO)cc3)c(N3CCCc4ccccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCCc4cc(OC(F)(F)F)ccc43)nc2c1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-[4-(hydroxymethyl)phenyl]-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid?
The InChIKey is URLYWGHZSDJAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4.C25H17F4N3O3.2C25H20FN3O3.C25H21N3O3/c1-33-20-9-11-23-18(13-20)3-2-12-29(23)25-24(17-6-4-16(15-30)5-7-17)27-21-10-8-19(26(31)32)14-22(21)28-25;26-17-6-3-14(4-7-17)22-23(31-20-13-16(24(33)34)5-9-19(20)30-22)32-11-1-2-15-12-18(8-10-21(15)32)35-25(27,28)29;1-32-19-9-11-22-16(13-19)3-2-12-29(22)24-23(15-4-7-18(26)8-5-15)27-20-10-6-17(25(30)31)14-21(20)28-24;26-19-8-10-22-17(12-19)2-1-11-29(22)24-23(16-5-3-15(14-30)4-6-16)27-20-9-7-18(25(31)32)13-21(20)28-24;29-15-16-7-9-18(10-8-16)23-24(28-13-3-5-17-4-1-2-6-22(17)28)27-21-14-19(25(30)31)11-12-20(21)26-23/h4-11,13-14,30H,2-3,12,15H2,1H3,(H,31,32);3-10,12-13H,1-2,11H2,(H,33,34);4-11,13-14H,2-3,12H2,1H3,(H,30,31);3-10,12-13,30H,1-2,11,14H2,(H,31,32);1-2,4,6-12,14,29H,3,5,13,15H2,(H,30,31).
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-[4-(hydroxymethyl)phenyl]-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid?
3-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-[4-(hydroxymethyl)phenyl]-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid has a molecular weight of 2195.27 g/mol, XLogP of 25.21, 21 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(hydroxymethyl)phenyl]quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(4-fluorophenyl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-[4-(hydroxymethyl)phenyl]-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 161173293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).