N-[7-[acetyl(chloro)amino]-8-hydroxy-2-methylquinolin-5-yl]-N-chloroacetamide

C14H13Cl2N3O3 — CID 22597662

IUPACN-[7-[acetyl(chloro)amino]-8-hydroxy-2-methylquinolin-5-yl]-N-chloroacetamide
SMILESCC(=O)N(Cl)c1cc(N(Cl)C(C)=O)c2ccc(C)nc2c1O
InChIInChI=1S/C14H13Cl2N3O3/c1-7-4-5-10-11(18(15)8(2)20)6-12(19(16)9(3)21)14(22)13(10)17-7/h4-6,22H,1-3H3
InChIKeyWADTXHWDSMWGIE-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.26
Rot. Bonds2

About N-[7-[acetyl(chloro)amino]-8-hydroxy-2-methylquinolin-5-yl]-N-chloroacetamide

N-[7-[acetyl(chloro)amino]-8-hydroxy-2-methylquinolin-5-yl]-N-chloroacetamide (PubChem CID 22597662) has the molecular formula C14H13Cl2N3O3 and a molecular weight of 342.18 g/mol. Its IUPAC name is N-[7-[acetyl(chloro)amino]-8-hydroxy-2-methylquinolin-5-yl]-N-chloroacetamide.

Molecular Properties

Compound NameN-[7-[acetyl(chloro)amino]-8-hydroxy-2-methylquinolin-5-yl]-N-chloroacetamide
PubChem CID22597662
Molecular FormulaC14H13Cl2N3O3
Molecular Weight342.18 g/mol
Exact Mass341.03
IUPAC NameN-[7-[acetyl(chloro)amino]-8-hydroxy-2-methylquinolin-5-yl]-N-chloroacetamide
SMILESCC(=O)N(Cl)c1cc(N(Cl)C(C)=O)c2ccc(C)nc2c1O
InChIInChI=1S/C14H13Cl2N3O3/c1-7-4-5-10-11(18(15)8(2)20)6-12(19(16)9(3)21)14(22)13(10)17-7/h4-6,22H,1-3H3
InChIKeyWADTXHWDSMWGIE-UHFFFAOYSA-N
XLogP3.26
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-[acetyl(chloro)amino]-8-hydroxy-2-methylquinolin-5-yl]-N-chloroacetamide?
The IUPAC name of N-[7-[acetyl(chloro)amino]-8-hydroxy-2-methylquinolin-5-yl]-N-chloroacetamide (CID 22597662) is N-[7-[acetyl(chloro)amino]-8-hydroxy-2-methylquinolin-5-yl]-N-chloroacetamide.
What is the SMILES notation for N-[7-[acetyl(chloro)amino]-8-hydroxy-2-methylquinolin-5-yl]-N-chloroacetamide?
The canonical SMILES for N-[7-[acetyl(chloro)amino]-8-hydroxy-2-methylquinolin-5-yl]-N-chloroacetamide is CC(=O)N(Cl)c1cc(N(Cl)C(C)=O)c2ccc(C)nc2c1O.
What is the InChIKey of N-[7-[acetyl(chloro)amino]-8-hydroxy-2-methylquinolin-5-yl]-N-chloroacetamide?
The InChIKey is WADTXHWDSMWGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O3/c1-7-4-5-10-11(18(15)8(2)20)6-12(19(16)9(3)21)14(22)13(10)17-7/h4-6,22H,1-3H3.
What are the key properties of N-[7-[acetyl(chloro)amino]-8-hydroxy-2-methylquinolin-5-yl]-N-chloroacetamide?
N-[7-[acetyl(chloro)amino]-8-hydroxy-2-methylquinolin-5-yl]-N-chloroacetamide has a molecular weight of 342.18 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[acetyl(chloro)amino]-8-hydroxy-2-methylquinolin-5-yl]-N-chloroacetamide is sourced from PubChem (CID 22597662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).