5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide

C17H12Cl2N2O2 — CID 18372562

IUPAC5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C17H12Cl2N2O2/c18-11-5-3-10(4-6-11)9-21-17(23)13-8-14(19)12-2-1-7-20-15(12)16(13)22/h1-8,22H,9H2,(H,21,23)
InChIKeyGWJNNUYEFFPGIV-UHFFFAOYSA-N
MW347.20 g/mol
LogP4.18
Rot. Bonds3

About 5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide

5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide (PubChem CID 18372562) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is 5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide
PubChem CID18372562
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Name5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C17H12Cl2N2O2/c18-11-5-3-10(4-6-11)9-21-17(23)13-8-14(19)12-2-1-7-20-15(12)16(13)22/h1-8,22H,9H2,(H,21,23)
InChIKeyGWJNNUYEFFPGIV-UHFFFAOYSA-N
XLogP4.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-8-hydroxyquinoline-7-carboxylic acid
CID 14534767
(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid
CID 159537945
N-benzyl-4-chloro-1-hydroxynaphthalene-2-carboxamide
CID 20816888
N-[2-(4-chlorophenyl)ethyl]-8-hydroxyquinoline-7-carboxamide
CID 18372521
N-[(2,4-dichlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;methane
CID 159727206
N'-[7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxyquinolin-5-yl]-N,N,N'-trimethyloxamide
CID 45481699
2-chloro-N-[(4-chlorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 110851489
zinc 5-chloro-7-(18F)fluoroquinolin-8-ol
CID 10378005
5-chloro-N-(4-chlorophenyl)-8-hydroxyquinoline-7-sulfonamide
CID 18372613
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]acetamide
CID 3136129
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
5-chloro-7-(chloromethyl)quinolin-8-ol
CID 4702114

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide?
The IUPAC name of 5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide (CID 18372562) is 5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of 5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide?
The InChIKey is GWJNNUYEFFPGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c18-11-5-3-10(4-6-11)9-21-17(23)13-8-14(19)12-2-1-7-20-15(12)16(13)22/h1-8,22H,9H2,(H,21,23).
What are the key properties of 5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide?
5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide has a molecular weight of 347.20 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide is sourced from PubChem (CID 18372562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).