4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)diazenyl]naphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate

C93H67N23O12 — CID 160742767

IUPAC4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)diazenyl]naphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.Cn1ncc2ncnc(/N=N/c3c(O)c(C(=O)Nc4ccccc4C(N)=O)cc4ccccc34)c21.NC(=O)c1cc2ccccc2c(/N=N/c2c3ccccc3nc3ccccc23)c1O.NC(=O)c1nccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12
InChIInChI=1S/C24H18N8O3.C24H16N4O2.C23H17N5O4.C22H16N6O3/c1-32-20-18(11-28-32)26-12-27-23(20)31-30-19-14-7-3-2-6-13(14)10-16(21(19)33)24(35)29-17-9-5-4-8-15(17)22(25)34;25-24(30)18-13-14-7-1-2-8-15(14)22(23(18)29)28-27-21-16-9-3-5-11-19(16)26-20-12-6-4-10-17(20)21;1-32-23(31)19-21(25-12-11-24-19)28-27-18-16-10-6-5-7-14(16)13-17(20(18)29)22(30)26-15-8-3-2-4-9-15;23-20(30)18-21(25-11-10-24-18)28-27-17-15-9-5-4-6-13(15)12-16(19(17)29)22(31)26-14-7-2-1-3-8-14/h2-12,33H,1H3,(H2,25,34)(H,29,35);1-13,29H,(H2,25,30);2-13,29H,1H3,(H,26,30);1-12,29H,(H2,23,30)(H,26,31)/b31-30+;3*28-27+
InChIKeyRVULWWNTMOAYDF-BTPIKOAGSA-N
MW1698.71 g/mol
LogP18.64
Rot. Bonds18

About 4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)diazenyl]naphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate

4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)diazenyl]naphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate (PubChem CID 160742767) has the molecular formula C93H67N23O12 and a molecular weight of 1698.71 g/mol. Its IUPAC name is 4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)diazenyl]naphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Name4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)diazenyl]naphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate
PubChem CID160742767
Molecular FormulaC93H67N23O12
Molecular Weight1698.71 g/mol
Exact Mass1697.53
IUPAC Name4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)diazenyl]naphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.Cn1ncc2ncnc(/N=N/c3c(O)c(C(=O)Nc4ccccc4C(N)=O)cc4ccccc34)c21.NC(=O)c1cc2ccccc2c(/N=N/c2c3ccccc3nc3ccccc23)c1O.NC(=O)c1nccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12
InChIInChI=1S/C24H18N8O3.C24H16N4O2.C23H17N5O4.C22H16N6O3/c1-32-20-18(11-28-32)26-12-27-23(20)31-30-19-14-7-3-2-6-13(14)10-16(21(19)33)24(35)29-17-9-5-4-8-15(17)22(25)34;25-24(30)18-13-14-7-1-2-8-15(14)22(23(18)29)28-27-21-16-9-3-5-11-19(16)26-20-12-6-4-10-17(20)21;1-32-23(31)19-21(25-12-11-24-19)28-27-18-16-10-6-5-7-14(16)13-17(20(18)29)22(30)26-15-8-3-2-4-9-15;23-20(30)18-21(25-11-10-24-18)28-27-17-15-9-5-4-6-13(15)12-16(19(17)29)22(31)26-14-7-2-1-3-8-14/h2-12,33H,1H3,(H2,25,34)(H,29,35);1-13,29H,(H2,25,30);2-13,29H,1H3,(H,26,30);1-12,29H,(H2,23,30)(H,26,31)/b31-30+;3*28-27+
InChIKeyRVULWWNTMOAYDF-BTPIKOAGSA-N
XLogP18.64
TPSA530.72 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001698.71
LogP ≤ 518.64
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

Methyl 5-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-6-[[2-(trifluoromethyl)phenyl]carbamoyl]naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 136642039
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
Methyl 2-[5-[8-[2-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)-2-methylhydrazinyl]-6-[(9-ethylcarbazol-3-yl)carbamoyl]-7-hydroxynaphthalen-2-yl]-2-pyridinyl]-3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-5-methyl-1,5-dihydropyrazole-4-carboxylate
CID 123221134
3-[[4-[2-(4-Cyano-1-pyrimidin-2-ylpyrazol-5-yl)hydrazinyl]-3-hydroxynaphthalene-2-carbonyl]amino]pyridine-2-carboxamide
CID 123643997
N-(2-carbamoylphenyl)-3-hydroxy-4-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)diazenyl]naphthalene-2-carboxamide
CID 136129852
Methyl 6-hydroxy-7-[[4-(hydroxymethyl)phenyl]carbamoyl]-5-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxylate
CID 136129870
Methyl 4-[[3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]benzoate
CID 136129927
N-(9-ethylcarbazol-3-yl)-3-hydroxy-4-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide
CID 136129929
3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]-N-(6-methyl-2-pyridinyl)naphthalene-2-carboxamide
CID 136129961
3-[[3-Hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carbonyl]amino]pyridine-2-carboxamide
CID 136129970
Methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 136129979
Methyl 5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate
CID 136130023

Frequently Asked Questions

What is the IUPAC name of 4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)diazenyl]naphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate?
The IUPAC name of 4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)diazenyl]naphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate (CID 160742767) is 4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)diazenyl]naphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate.
What is the SMILES notation for 4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)diazenyl]naphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate?
The canonical SMILES for 4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)diazenyl]naphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate is COC(=O)c1nccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.Cn1ncc2ncnc(/N=N/c3c(O)c(C(=O)Nc4ccccc4C(N)=O)cc4ccccc34)c21.NC(=O)c1cc2ccccc2c(/N=N/c2c3ccccc3nc3ccccc23)c1O.NC(=O)c1nccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.
What is the InChIKey of 4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)diazenyl]naphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate?
The InChIKey is RVULWWNTMOAYDF-BTPIKOAGSA-N. The full InChI is InChI=1S/C24H18N8O3.C24H16N4O2.C23H17N5O4.C22H16N6O3/c1-32-20-18(11-28-32)26-12-27-23(20)31-30-19-14-7-3-2-6-13(14)10-16(21(19)33)24(35)29-17-9-5-4-8-15(17)22(25)34;25-24(30)18-13-14-7-1-2-8-15(14)22(23(18)29)28-27-21-16-9-3-5-11-19(16)26-20-12-6-4-10-17(20)21;1-32-23(31)19-21(25-12-11-24-19)28-27-18-16-10-6-5-7-14(16)13-17(20(18)29)22(30)26-15-8-3-2-4-9-15;23-20(30)18-21(25-11-10-24-18)28-27-17-15-9-5-4-6-13(15)12-16(19(17)29)22(31)26-14-7-2-1-3-8-14/h2-12,33H,1H3,(H2,25,34)(H,29,35);1-13,29H,(H2,25,30);2-13,29H,1H3,(H,26,30);1-12,29H,(H2,23,30)(H,26,31)/b31-30+;3*28-27+.
What are the key properties of 4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)diazenyl]naphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate?
4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)diazenyl]naphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate has a molecular weight of 1698.71 g/mol, XLogP of 18.64, 18 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)diazenyl]naphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate is sourced from PubChem (CID 160742767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).