4-amino-3-hydroxybenzoic acid;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-hydroxyethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-[1-(3-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl]-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;8-hydroxy-4-methylquinoline-6-carboxylic acid;8-methoxy-4-methylquinoline-6-carboxylic acid

C108H104Cl3FN12O18 — CID 167631820

IUPAC4-amino-3-hydroxybenzoic acid;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-hydroxyethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-[1-(3-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl]-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;8-hydroxy-4-methylquinoline-6-carboxylic acid;8-methoxy-4-methylquinoline-6-carboxylic acid
SMILESCOc1cc(C(=O)NCC(=O)c2cc3c(c(-c4ccc(F)c(Cl)c4)n2)CCC3(C)C)cc2c(C)ccnc12.COc1cc(C(=O)NCC(=O)c2cc3c(c(Cl)n2)CCC3(C)C)cc2c(C)ccnc12.COc1cc(C(=O)NCC(O)c2cc3c(c(Cl)n2)CCC3(C)C)cc2c(C)ccnc12.COc1cc(C(=O)O)cc2c(C)ccnc12.Cc1ccnc2c(O)cc(C(=O)O)cc12.Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C30H27ClFN3O3.C24H26ClN3O3.C24H24ClN3O3.C12H11NO3.C11H9NO3.C7H7NO3/c1-16-8-10-33-28-20(16)11-18(13-26(28)38-4)29(37)34-15-25(36)24-14-21-19(7-9-30(21,2)3)27(35-24)17-5-6-23(32)22(31)12-17;2*1-13-6-8-26-21-16(13)9-14(10-20(21)31-4)23(30)27-12-19(29)18-11-17-15(22(25)28-18)5-7-24(17,2)3;1-7-3-4-13-11-9(7)5-8(12(14)15)6-10(11)16-2;1-6-2-3-12-10-8(6)4-7(11(14)15)5-9(10)13;8-5-2-1-4(7(10)11)3-6(5)9/h5-6,8,10-14H,7,9,15H2,1-4H3,(H,34,37);6,8-11,19,29H,5,7,12H2,1-4H3,(H,27,30);6,8-11H,5,7,12H2,1-4H3,(H,27,30);3-6H,1-2H3,(H,14,15);2-5,13H,1H3,(H,14,15);1-3,9H,8H2,(H,10,11)
InChIKeyNXJLMVDLARQOQR-UHFFFAOYSA-N
MW1983.44 g/mol
LogP19.84
Rot. Bonds20

About 4-amino-3-hydroxybenzoic acid;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-hydroxyethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-[1-(3-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl]-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;8-hydroxy-4-methylquinoline-6-carboxylic acid;8-methoxy-4-methylquinoline-6-carboxylic acid

4-amino-3-hydroxybenzoic acid;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-hydroxyethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-[1-(3-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl]-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;8-hydroxy-4-methylquinoline-6-carboxylic acid;8-methoxy-4-methylquinoline-6-carboxylic acid (PubChem CID 167631820) has the molecular formula C108H104Cl3FN12O18 and a molecular weight of 1983.44 g/mol. Its IUPAC name is 4-amino-3-hydroxybenzoic acid;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-hydroxyethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-[1-(3-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl]-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;8-hydroxy-4-methylquinoline-6-carboxylic acid;8-methoxy-4-methylquinoline-6-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-hydroxybenzoic acid;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-hydroxyethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-[1-(3-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl]-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;8-hydroxy-4-methylquinoline-6-carboxylic acid;8-methoxy-4-methylquinoline-6-carboxylic acid
PubChem CID167631820
Molecular FormulaC108H104Cl3FN12O18
Molecular Weight1983.44 g/mol
Exact Mass1980.66
IUPAC Name4-amino-3-hydroxybenzoic acid;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-hydroxyethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-[1-(3-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl]-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;8-hydroxy-4-methylquinoline-6-carboxylic acid;8-methoxy-4-methylquinoline-6-carboxylic acid
SMILESCOc1cc(C(=O)NCC(=O)c2cc3c(c(-c4ccc(F)c(Cl)c4)n2)CCC3(C)C)cc2c(C)ccnc12.COc1cc(C(=O)NCC(=O)c2cc3c(c(Cl)n2)CCC3(C)C)cc2c(C)ccnc12.COc1cc(C(=O)NCC(O)c2cc3c(c(Cl)n2)CCC3(C)C)cc2c(C)ccnc12.COc1cc(C(=O)O)cc2c(C)ccnc12.Cc1ccnc2c(O)cc(C(=O)O)cc12.Nc1ccc(C(=O)O)cc1O
InChIInChI=1S/C30H27ClFN3O3.C24H26ClN3O3.C24H24ClN3O3.C12H11NO3.C11H9NO3.C7H7NO3/c1-16-8-10-33-28-20(16)11-18(13-26(28)38-4)29(37)34-15-25(36)24-14-21-19(7-9-30(21,2)3)27(35-24)17-5-6-23(32)22(31)12-17;2*1-13-6-8-26-21-16(13)9-14(10-20(21)31-4)23(30)27-12-19(29)18-11-17-15(22(25)28-18)5-7-24(17,2)3;1-7-3-4-13-11-9(7)5-8(12(14)15)6-10(11)16-2;1-6-2-3-12-10-8(6)4-7(11(14)15)5-9(10)13;8-5-2-1-4(7(10)11)3-6(5)9/h5-6,8,10-14H,7,9,15H2,1-4H3,(H,34,37);6,8-11,19,29H,5,7,12H2,1-4H3,(H,27,30);6,8-11H,5,7,12H2,1-4H3,(H,27,30);3-6H,1-2H3,(H,14,15);2-5,13H,1H3,(H,14,15);1-3,9H,8H2,(H,10,11)
InChIKeyNXJLMVDLARQOQR-UHFFFAOYSA-N
XLogP19.84
TPSA460.09 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001983.44
LogP ≤ 519.84
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-amino-3-hydroxybenzoic acid;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-hydroxyethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-[1-(3-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl]-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;8-hydroxy-4-methylquinoline-6-carboxylic acid;8-methoxy-4-methylquinoline-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[2-(3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl)-6-(3-chloro-4-fluorophenyl)-4-pyridinyl]propan-2-yl]-N-methylcarbamate;4-[6-(3-chloro-4-fluorophenyl)-4-[2-(methylamino)propan-2-yl]-2-pyridinyl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;8-methoxyquinoline-6-carboxylic acid;hydrochloride
CID 159169322
N-[2-[1-(3-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl]-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide
CID 166026862
3-Amino-2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propane-1,2-diol;4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;methane;8-methoxyquinoline-6-carbonyl chloride;8-methoxyquinoline-6-carboxylic acid
CID 157108708
4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxyquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxyquinolin-6-yl)butane-1,4-dione
CID 158425774
4-amino-3-hydroxybenzoic acid;4-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxy-4-methylquinolin-6-yl)butan-1-one;1-(7-chloro-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl)-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;1-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-4-(8-methoxy-4-methylquinolin-6-yl)butane-1,4-dione;8-methoxy-4-methylquinoline-6-carboxylic acid;methyl 8-methoxy-4-methylquinoline-6-carboxylate
CID 159947426
3-Amino-2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]propane-1,2-diol;4-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4,5-dihydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;8-methoxyquinoline-6-carbonyl chloride;8-methoxyquinoline-6-carboxylic acid
CID 160377247

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxybenzoic acid;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-hydroxyethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-[1-(3-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl]-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;8-hydroxy-4-methylquinoline-6-carboxylic acid;8-methoxy-4-methylquinoline-6-carboxylic acid?
The IUPAC name of 4-amino-3-hydroxybenzoic acid;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-hydroxyethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-[1-(3-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl]-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;8-hydroxy-4-methylquinoline-6-carboxylic acid;8-methoxy-4-methylquinoline-6-carboxylic acid (CID 167631820) is 4-amino-3-hydroxybenzoic acid;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-hydroxyethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-[1-(3-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl]-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;8-hydroxy-4-methylquinoline-6-carboxylic acid;8-methoxy-4-methylquinoline-6-carboxylic acid.
What is the SMILES notation for 4-amino-3-hydroxybenzoic acid;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-hydroxyethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-[1-(3-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl]-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;8-hydroxy-4-methylquinoline-6-carboxylic acid;8-methoxy-4-methylquinoline-6-carboxylic acid?
The canonical SMILES for 4-amino-3-hydroxybenzoic acid;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-hydroxyethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-[1-(3-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl]-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;8-hydroxy-4-methylquinoline-6-carboxylic acid;8-methoxy-4-methylquinoline-6-carboxylic acid is COc1cc(C(=O)NCC(=O)c2cc3c(c(-c4ccc(F)c(Cl)c4)n2)CCC3(C)C)cc2c(C)ccnc12.COc1cc(C(=O)NCC(=O)c2cc3c(c(Cl)n2)CCC3(C)C)cc2c(C)ccnc12.COc1cc(C(=O)NCC(O)c2cc3c(c(Cl)n2)CCC3(C)C)cc2c(C)ccnc12.COc1cc(C(=O)O)cc2c(C)ccnc12.Cc1ccnc2c(O)cc(C(=O)O)cc12.Nc1ccc(C(=O)O)cc1O.
What is the InChIKey of 4-amino-3-hydroxybenzoic acid;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-hydroxyethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-[1-(3-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl]-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;8-hydroxy-4-methylquinoline-6-carboxylic acid;8-methoxy-4-methylquinoline-6-carboxylic acid?
The InChIKey is NXJLMVDLARQOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClFN3O3.C24H26ClN3O3.C24H24ClN3O3.C12H11NO3.C11H9NO3.C7H7NO3/c1-16-8-10-33-28-20(16)11-18(13-26(28)38-4)29(37)34-15-25(36)24-14-21-19(7-9-30(21,2)3)27(35-24)17-5-6-23(32)22(31)12-17;2*1-13-6-8-26-21-16(13)9-14(10-20(21)31-4)23(30)27-12-19(29)18-11-17-15(22(25)28-18)5-7-24(17,2)3;1-7-3-4-13-11-9(7)5-8(12(14)15)6-10(11)16-2;1-6-2-3-12-10-8(6)4-7(11(14)15)5-9(10)13;8-5-2-1-4(7(10)11)3-6(5)9/h5-6,8,10-14H,7,9,15H2,1-4H3,(H,34,37);6,8-11,19,29H,5,7,12H2,1-4H3,(H,27,30);6,8-11H,5,7,12H2,1-4H3,(H,27,30);3-6H,1-2H3,(H,14,15);2-5,13H,1H3,(H,14,15);1-3,9H,8H2,(H,10,11).
What are the key properties of 4-amino-3-hydroxybenzoic acid;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-hydroxyethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-[1-(3-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl]-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;8-hydroxy-4-methylquinoline-6-carboxylic acid;8-methoxy-4-methylquinoline-6-carboxylic acid?
4-amino-3-hydroxybenzoic acid;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-hydroxyethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-[1-(3-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl]-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;8-hydroxy-4-methylquinoline-6-carboxylic acid;8-methoxy-4-methylquinoline-6-carboxylic acid has a molecular weight of 1983.44 g/mol, XLogP of 19.84, 20 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxybenzoic acid;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-hydroxyethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-(1-chloro-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl)-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;N-[2-[1-(3-chloro-4-fluorophenyl)-5,5-dimethyl-6,7-dihydrocyclopenta[c]pyridin-3-yl]-2-oxoethyl]-8-methoxy-4-methylquinoline-6-carboxamide;8-hydroxy-4-methylquinoline-6-carboxylic acid;8-methoxy-4-methylquinoline-6-carboxylic acid is sourced from PubChem (CID 167631820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).