4-amino-2-N,7-N-bis(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2,7-dicarboxamide

C28H25Cl2N3O7 — CID 143054180

IUPAC4-amino-2-N,7-N-bis(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2,7-dicarboxamide
SMILESCOc1cc(NC(=O)c2ccc3c(N)c(O)c(C(=O)Nc4cc(OC)c(Cl)cc4OC)cc3c2)c(OC)cc1Cl
InChIInChI=1S/C28H25Cl2N3O7/c1-37-21-11-19(23(39-3)9-17(21)29)32-27(35)13-5-6-15-14(7-13)8-16(26(34)25(15)31)28(36)33-20-12-22(38-2)18(30)10-24(20)40-4/h5-12,34H,31H2,1-4H3,(H,32,35)(H,33,36)
InChIKeyWOSPHZTYKHEVJV-UHFFFAOYSA-N
MW586.43 g/mol
LogP5.97
Rot. Bonds8

About 4-amino-2-N,7-N-bis(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2,7-dicarboxamide

4-amino-2-N,7-N-bis(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2,7-dicarboxamide (PubChem CID 143054180) has the molecular formula C28H25Cl2N3O7 and a molecular weight of 586.43 g/mol. Its IUPAC name is 4-amino-2-N,7-N-bis(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2,7-dicarboxamide.

Molecular Properties

Compound Name4-amino-2-N,7-N-bis(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2,7-dicarboxamide
PubChem CID143054180
Molecular FormulaC28H25Cl2N3O7
Molecular Weight586.43 g/mol
Exact Mass585.11
IUPAC Name4-amino-2-N,7-N-bis(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2,7-dicarboxamide
SMILESCOc1cc(NC(=O)c2ccc3c(N)c(O)c(C(=O)Nc4cc(OC)c(Cl)cc4OC)cc3c2)c(OC)cc1Cl
InChIInChI=1S/C28H25Cl2N3O7/c1-37-21-11-19(23(39-3)9-17(21)29)32-27(35)13-5-6-15-14(7-13)8-16(26(34)25(15)31)28(36)33-20-12-22(38-2)18(30)10-24(20)40-4/h5-12,34H,31H2,1-4H3,(H,32,35)(H,33,36)
InChIKeyWOSPHZTYKHEVJV-UHFFFAOYSA-N
XLogP5.97
TPSA141.37 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.43
LogP ≤ 55.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693481
methyl 3-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 46485057
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
N-(4-chloro-2,5-dimethoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 17427560
N-(4-chloro-2,5-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24531669
N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 28544124
N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide
CID 4060765
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
4-amino-3-hydroxy-N-naphthalen-1-ylnaphthalene-2-carboxamide;3-amino-4-methoxy-N-methylbenzamide
CID 145216655
N-(4-chloro-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 28825951
N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 823910
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-N,7-N-bis(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2,7-dicarboxamide?
The IUPAC name of 4-amino-2-N,7-N-bis(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2,7-dicarboxamide (CID 143054180) is 4-amino-2-N,7-N-bis(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2,7-dicarboxamide.
What is the SMILES notation for 4-amino-2-N,7-N-bis(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2,7-dicarboxamide?
The canonical SMILES for 4-amino-2-N,7-N-bis(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2,7-dicarboxamide is COc1cc(NC(=O)c2ccc3c(N)c(O)c(C(=O)Nc4cc(OC)c(Cl)cc4OC)cc3c2)c(OC)cc1Cl.
What is the InChIKey of 4-amino-2-N,7-N-bis(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2,7-dicarboxamide?
The InChIKey is WOSPHZTYKHEVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl2N3O7/c1-37-21-11-19(23(39-3)9-17(21)29)32-27(35)13-5-6-15-14(7-13)8-16(26(34)25(15)31)28(36)33-20-12-22(38-2)18(30)10-24(20)40-4/h5-12,34H,31H2,1-4H3,(H,32,35)(H,33,36).
What are the key properties of 4-amino-2-N,7-N-bis(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2,7-dicarboxamide?
4-amino-2-N,7-N-bis(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2,7-dicarboxamide has a molecular weight of 586.43 g/mol, XLogP of 5.97, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-N,7-N-bis(4-chloro-2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2,7-dicarboxamide is sourced from PubChem (CID 143054180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).