2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide

C17H13Cl2N3O2 — CID 164865635

IUPAC2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide
SMILESO=C(CCl)NC(c1cccnc1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C17H13Cl2N3O2/c18-8-14(23)22-15(10-3-1-5-20-9-10)12-7-13(19)11-4-2-6-21-16(11)17(12)24/h1-7,9,15,24H,8H2,(H,22,23)
InChIKeyJIDVTZZEMYWXLQ-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.43
Rot. Bonds4

About 2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide

2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide (PubChem CID 164865635) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is 2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide
PubChem CID164865635
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide
SMILESO=C(CCl)NC(c1cccnc1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C17H13Cl2N3O2/c18-8-14(23)22-15(10-3-1-5-20-9-10)12-7-13(19)11-4-2-6-21-16(11)17(12)24/h1-7,9,15,24H,8H2,(H,22,23)
InChIKeyJIDVTZZEMYWXLQ-UHFFFAOYSA-N
XLogP3.43
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]acetamide
CID 67171600
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 24961465
N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]-2-(2,5-diazabicyclo[2.2.1]heptan-2-yl)acetamide
CID 164865586
N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
CID 164865676
5-chloro-7-[hydroxy(pyridin-3-yl)methyl]quinolin-8-ol
CID 146026296
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 24958912
N-[(5-acetyl-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
CID 164865631
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide
CID 164865561
4-amino-N-[(8-hydroxy-5-methylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
CID 171433993
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]acetamide
CID 3136129
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]acetamide
CID 2920402
N-[(8-hydroxy-5-pyrrolidin-1-ylquinolin-7-yl)-pyridin-3-ylmethyl]butanamide
CID 164865667

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide?
The IUPAC name of 2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide (CID 164865635) is 2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide?
The canonical SMILES for 2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide is O=C(CCl)NC(c1cccnc1)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of 2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide?
The InChIKey is JIDVTZZEMYWXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c18-8-14(23)22-15(10-3-1-5-20-9-10)12-7-13(19)11-4-2-6-21-16(11)17(12)24/h1-7,9,15,24H,8H2,(H,22,23).
What are the key properties of 2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide?
2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide has a molecular weight of 362.22 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide is sourced from PubChem (CID 164865635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).