5-amino-2-hydroxybenzoic acid;4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;3,6-dihydropyrrolo[2,3-d]pyrimidin-4-one;(2,5-dioxoimidazolidin-4-yl)urea;ethyl-(3-hydroxyphenyl)-dimethylazanium;(3R)-3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-methylidenechromene;6-methyl-3H-inden-5-ol;(3-methylphenyl) acetate;1-phenoxypropan-2-one;5-phenylpentan-2-one;quinolin-8-ol

C102H116N13O20+ — CID 159911718

IUPAC5-amino-2-hydroxybenzoic acid;4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;3,6-dihydropyrrolo[2,3-d]pyrimidin-4-one;(2,5-dioxoimidazolidin-4-yl)urea;ethyl-(3-hydroxyphenyl)-dimethylazanium;(3R)-3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-methylidenechromene;6-methyl-3H-inden-5-ol;(3-methylphenyl) acetate;1-phenoxypropan-2-one;5-phenylpentan-2-one;quinolin-8-ol
SMILESC=C1C=Cc2ccccc2O1.CC(=O)CCCc1ccccc1.CC(=O)COc1ccccc1.CC(=O)Oc1cccc(C)c1.CC[N+](C)(C)c1cccc(O)c1.COC[C@H]1CNc2ncccc21.Cc1cc2c(cc1O)CC=C2.Cc1ncc(CO)c(CO)c1O.NC(=O)NC1NC(=O)NC1=O.Nc1ccc(O)c(C(=O)O)c1.O=c1[nH]cnc2c1=CCN=2.Oc1cccc2cccnc12
InChIInChI=1S/C11H14O.C10H15NO.C10H10O.C10H8O.C9H12N2O.C9H7NO.2C9H10O2.C8H11NO3.C7H7NO3.C6H5N3O.C4H6N4O3/c1-10(12)6-5-9-11-7-3-2-4-8-11;1-4-11(2,3)9-6-5-7-10(12)8-9;1-7-5-8-3-2-4-9(8)6-10(7)11;1-8-6-7-9-4-2-3-5-10(9)11-8;1-12-6-7-5-11-9-8(7)3-2-4-10-9;11-8-5-1-3-7-4-2-6-10-9(7)8;1-7-4-3-5-9(6-7)11-8(2)10;1-8(10)7-11-9-5-3-2-4-6-9;1-5-8(12)7(4-11)6(3-10)2-9-5;8-4-1-2-6(9)5(3-4)7(10)11;10-6-4-1-2-7-5(4)8-3-9-6;5-3(10)6-1-2(9)8-4(11)7-1/h2-4,7-8H,5-6,9H2,1H3;5-8H,4H2,1-3H3;2-3,5-6,11H,4H2,1H3;2-7H,1H2;2-4,7H,5-6H2,1H3,(H,10,11);1-6,11H;3-6H,1-2H3;2-6H,7H2,1H3;2,10-12H,3-4H2,1H3;1-3,9H,8H2,(H,10,11);1,3H,2H2,(H,7,8,9,10);1H,(H3,5,6,10)(H2,7,8,9,11)/p+1/t;;;;7-;;;;;;;/m....1......./s1
InChIKeyNXGLIPQYROQCAW-BAVFCUSSSA-O
MW1844.12 g/mol
LogP12.96
Rot. Bonds16

About 5-amino-2-hydroxybenzoic acid;4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;3,6-dihydropyrrolo[2,3-d]pyrimidin-4-one;(2,5-dioxoimidazolidin-4-yl)urea;ethyl-(3-hydroxyphenyl)-dimethylazanium;(3R)-3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-methylidenechromene;6-methyl-3H-inden-5-ol;(3-methylphenyl) acetate;1-phenoxypropan-2-one;5-phenylpentan-2-one;quinolin-8-ol

5-amino-2-hydroxybenzoic acid;4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;3,6-dihydropyrrolo[2,3-d]pyrimidin-4-one;(2,5-dioxoimidazolidin-4-yl)urea;ethyl-(3-hydroxyphenyl)-dimethylazanium;(3R)-3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-methylidenechromene;6-methyl-3H-inden-5-ol;(3-methylphenyl) acetate;1-phenoxypropan-2-one;5-phenylpentan-2-one;quinolin-8-ol (PubChem CID 159911718) has the molecular formula C102H116N13O20+ and a molecular weight of 1844.12 g/mol. Its IUPAC name is 5-amino-2-hydroxybenzoic acid;4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;3,6-dihydropyrrolo[2,3-d]pyrimidin-4-one;(2,5-dioxoimidazolidin-4-yl)urea;ethyl-(3-hydroxyphenyl)-dimethylazanium;(3R)-3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-methylidenechromene;6-methyl-3H-inden-5-ol;(3-methylphenyl) acetate;1-phenoxypropan-2-one;5-phenylpentan-2-one;quinolin-8-ol.

Molecular Properties

Compound Name5-amino-2-hydroxybenzoic acid;4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;3,6-dihydropyrrolo[2,3-d]pyrimidin-4-one;(2,5-dioxoimidazolidin-4-yl)urea;ethyl-(3-hydroxyphenyl)-dimethylazanium;(3R)-3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-methylidenechromene;6-methyl-3H-inden-5-ol;(3-methylphenyl) acetate;1-phenoxypropan-2-one;5-phenylpentan-2-one;quinolin-8-ol
PubChem CID159911718
Molecular FormulaC102H116N13O20+
Molecular Weight1844.12 g/mol
Exact Mass1842.85
IUPAC Name5-amino-2-hydroxybenzoic acid;4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;3,6-dihydropyrrolo[2,3-d]pyrimidin-4-one;(2,5-dioxoimidazolidin-4-yl)urea;ethyl-(3-hydroxyphenyl)-dimethylazanium;(3R)-3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-methylidenechromene;6-methyl-3H-inden-5-ol;(3-methylphenyl) acetate;1-phenoxypropan-2-one;5-phenylpentan-2-one;quinolin-8-ol
SMILESC=C1C=Cc2ccccc2O1.CC(=O)CCCc1ccccc1.CC(=O)COc1ccccc1.CC(=O)Oc1cccc(C)c1.CC[N+](C)(C)c1cccc(O)c1.COC[C@H]1CNc2ncccc21.Cc1cc2c(cc1O)CC=C2.Cc1ncc(CO)c(CO)c1O.NC(=O)NC1NC(=O)NC1=O.Nc1ccc(O)c(C(=O)O)c1.O=c1[nH]cnc2c1=CCN=2.Oc1cccc2cccnc12
InChIInChI=1S/C11H14O.C10H15NO.C10H10O.C10H8O.C9H12N2O.C9H7NO.2C9H10O2.C8H11NO3.C7H7NO3.C6H5N3O.C4H6N4O3/c1-10(12)6-5-9-11-7-3-2-4-8-11;1-4-11(2,3)9-6-5-7-10(12)8-9;1-7-5-8-3-2-4-9(8)6-10(7)11;1-8-6-7-9-4-2-3-5-10(9)11-8;1-12-6-7-5-11-9-8(7)3-2-4-10-9;11-8-5-1-3-7-4-2-6-10-9(7)8;1-7-4-3-5-9(6-7)11-8(2)10;1-8(10)7-11-9-5-3-2-4-6-9;1-5-8(12)7(4-11)6(3-10)2-9-5;8-4-1-2-6(9)5(3-4)7(10)11;10-6-4-1-2-7-5(4)8-3-9-6;5-3(10)6-1-2(9)8-4(11)7-1/h2-4,7-8H,5-6,9H2,1H3;5-8H,4H2,1-3H3;2-3,5-6,11H,4H2,1H3;2-7H,1H2;2-4,7H,5-6H2,1H3,(H,10,11);1-6,11H;3-6H,1-2H3;2-6H,7H2,1H3;2,10-12H,3-4H2,1H3;1-3,9H,8H2,(H,10,11);1,3H,2H2,(H,7,8,9,10);1H,(H3,5,6,10)(H2,7,8,9,11)/p+1/t;;;;7-;;;;;;;/m....1......./s1
InChIKeyNXGLIPQYROQCAW-BAVFCUSSSA-O
XLogP12.96
TPSA515.19 Ų
H-Bond Donors15
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001844.12
LogP ≤ 512.96
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 5-amino-2-hydroxybenzoic acid;4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;3,6-dihydropyrrolo[2,3-d]pyrimidin-4-one;(2,5-dioxoimidazolidin-4-yl)urea;ethyl-(3-hydroxyphenyl)-dimethylazanium;(3R)-3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-methylidenechromene;6-methyl-3H-inden-5-ol;(3-methylphenyl) acetate;1-phenoxypropan-2-one;5-phenylpentan-2-one;quinolin-8-ol with MolForge

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Launch Full Analysis

Related Compounds

1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;2-(1,3-benzoxazol-2-yl)phenol;3-hydroxypyridine-2-carboxamide;naphthalene-1,5-diol;nobelium;N-(2-oxo-1H-pyridin-4-yl)acetamide;phenol;3H-pteridin-4-one;3H-quinazolin-4-one;4-(1,2,4-triazol-1-yl)cyclohexa-1,3-dien-1-ol;7-(trifluoromethyl)-1H-quinolin-4-one
CID 158723844
ethyl 2-[[[9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]oxycarbonyl-(2-ethoxy-2-oxoethyl)carbamoyl]amino]acetate;ethyl 2-[[(2-ethoxy-2-oxoethyl)-[[7-[(4-fluorophenyl)methyl]-9-hydroxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-5-yl]oxycarbonyl]carbamoyl]amino]acetate
CID 157900509
5-(4-aminopiperidin-1-yl)-3-methoxynaphthalene-2-carboxamide;5-[(3S)-3-hydroxypiperidin-1-yl]-3-methoxynaphthalene-2-carboxamide;6-methoxy-1-[(1S,3S)-3-methylcyclopentyl]indole-5-carboxamide;7-methoxy-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-4-prop-1-ynylisoquinoline-6-carboxamide
CID 158929613

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-hydroxybenzoic acid;4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;3,6-dihydropyrrolo[2,3-d]pyrimidin-4-one;(2,5-dioxoimidazolidin-4-yl)urea;ethyl-(3-hydroxyphenyl)-dimethylazanium;(3R)-3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-methylidenechromene;6-methyl-3H-inden-5-ol;(3-methylphenyl) acetate;1-phenoxypropan-2-one;5-phenylpentan-2-one;quinolin-8-ol?
The IUPAC name of 5-amino-2-hydroxybenzoic acid;4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;3,6-dihydropyrrolo[2,3-d]pyrimidin-4-one;(2,5-dioxoimidazolidin-4-yl)urea;ethyl-(3-hydroxyphenyl)-dimethylazanium;(3R)-3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-methylidenechromene;6-methyl-3H-inden-5-ol;(3-methylphenyl) acetate;1-phenoxypropan-2-one;5-phenylpentan-2-one;quinolin-8-ol (CID 159911718) is 5-amino-2-hydroxybenzoic acid;4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;3,6-dihydropyrrolo[2,3-d]pyrimidin-4-one;(2,5-dioxoimidazolidin-4-yl)urea;ethyl-(3-hydroxyphenyl)-dimethylazanium;(3R)-3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-methylidenechromene;6-methyl-3H-inden-5-ol;(3-methylphenyl) acetate;1-phenoxypropan-2-one;5-phenylpentan-2-one;quinolin-8-ol.
What is the SMILES notation for 5-amino-2-hydroxybenzoic acid;4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;3,6-dihydropyrrolo[2,3-d]pyrimidin-4-one;(2,5-dioxoimidazolidin-4-yl)urea;ethyl-(3-hydroxyphenyl)-dimethylazanium;(3R)-3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-methylidenechromene;6-methyl-3H-inden-5-ol;(3-methylphenyl) acetate;1-phenoxypropan-2-one;5-phenylpentan-2-one;quinolin-8-ol?
The canonical SMILES for 5-amino-2-hydroxybenzoic acid;4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;3,6-dihydropyrrolo[2,3-d]pyrimidin-4-one;(2,5-dioxoimidazolidin-4-yl)urea;ethyl-(3-hydroxyphenyl)-dimethylazanium;(3R)-3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-methylidenechromene;6-methyl-3H-inden-5-ol;(3-methylphenyl) acetate;1-phenoxypropan-2-one;5-phenylpentan-2-one;quinolin-8-ol is C=C1C=Cc2ccccc2O1.CC(=O)CCCc1ccccc1.CC(=O)COc1ccccc1.CC(=O)Oc1cccc(C)c1.CC[N+](C)(C)c1cccc(O)c1.COC[C@H]1CNc2ncccc21.Cc1cc2c(cc1O)CC=C2.Cc1ncc(CO)c(CO)c1O.NC(=O)NC1NC(=O)NC1=O.Nc1ccc(O)c(C(=O)O)c1.O=c1[nH]cnc2c1=CCN=2.Oc1cccc2cccnc12.
What is the InChIKey of 5-amino-2-hydroxybenzoic acid;4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;3,6-dihydropyrrolo[2,3-d]pyrimidin-4-one;(2,5-dioxoimidazolidin-4-yl)urea;ethyl-(3-hydroxyphenyl)-dimethylazanium;(3R)-3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-methylidenechromene;6-methyl-3H-inden-5-ol;(3-methylphenyl) acetate;1-phenoxypropan-2-one;5-phenylpentan-2-one;quinolin-8-ol?
The InChIKey is NXGLIPQYROQCAW-BAVFCUSSSA-O. The full InChI is InChI=1S/C11H14O.C10H15NO.C10H10O.C10H8O.C9H12N2O.C9H7NO.2C9H10O2.C8H11NO3.C7H7NO3.C6H5N3O.C4H6N4O3/c1-10(12)6-5-9-11-7-3-2-4-8-11;1-4-11(2,3)9-6-5-7-10(12)8-9;1-7-5-8-3-2-4-9(8)6-10(7)11;1-8-6-7-9-4-2-3-5-10(9)11-8;1-12-6-7-5-11-9-8(7)3-2-4-10-9;11-8-5-1-3-7-4-2-6-10-9(7)8;1-7-4-3-5-9(6-7)11-8(2)10;1-8(10)7-11-9-5-3-2-4-6-9;1-5-8(12)7(4-11)6(3-10)2-9-5;8-4-1-2-6(9)5(3-4)7(10)11;10-6-4-1-2-7-5(4)8-3-9-6;5-3(10)6-1-2(9)8-4(11)7-1/h2-4,7-8H,5-6,9H2,1H3;5-8H,4H2,1-3H3;2-3,5-6,11H,4H2,1H3;2-7H,1H2;2-4,7H,5-6H2,1H3,(H,10,11);1-6,11H;3-6H,1-2H3;2-6H,7H2,1H3;2,10-12H,3-4H2,1H3;1-3,9H,8H2,(H,10,11);1,3H,2H2,(H,7,8,9,10);1H,(H3,5,6,10)(H2,7,8,9,11)/p+1/t;;;;7-;;;;;;;/m....1......./s1.
What are the key properties of 5-amino-2-hydroxybenzoic acid;4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;3,6-dihydropyrrolo[2,3-d]pyrimidin-4-one;(2,5-dioxoimidazolidin-4-yl)urea;ethyl-(3-hydroxyphenyl)-dimethylazanium;(3R)-3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-methylidenechromene;6-methyl-3H-inden-5-ol;(3-methylphenyl) acetate;1-phenoxypropan-2-one;5-phenylpentan-2-one;quinolin-8-ol?
5-amino-2-hydroxybenzoic acid;4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;3,6-dihydropyrrolo[2,3-d]pyrimidin-4-one;(2,5-dioxoimidazolidin-4-yl)urea;ethyl-(3-hydroxyphenyl)-dimethylazanium;(3R)-3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-methylidenechromene;6-methyl-3H-inden-5-ol;(3-methylphenyl) acetate;1-phenoxypropan-2-one;5-phenylpentan-2-one;quinolin-8-ol has a molecular weight of 1844.12 g/mol, XLogP of 12.96, 16 rotatable bonds, 15 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-hydroxybenzoic acid;4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;3,6-dihydropyrrolo[2,3-d]pyrimidin-4-one;(2,5-dioxoimidazolidin-4-yl)urea;ethyl-(3-hydroxyphenyl)-dimethylazanium;(3R)-3-(methoxymethyl)-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;2-methylidenechromene;6-methyl-3H-inden-5-ol;(3-methylphenyl) acetate;1-phenoxypropan-2-one;5-phenylpentan-2-one;quinolin-8-ol is sourced from PubChem (CID 159911718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).