N-(2-chlorophenyl)-2-[(2-methylquinolin-4-yl)amino]acetamide

C18H16ClN3O — CID 46226504

IUPACN-(2-chlorophenyl)-2-[(2-methylquinolin-4-yl)amino]acetamide
SMILESCc1cc(NCC(=O)Nc2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C18H16ClN3O/c1-12-10-17(13-6-2-4-8-15(13)21-12)20-11-18(23)22-16-9-5-3-7-14(16)19/h2-10H,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyHXYPOKRROXTFTD-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.25
Rot. Bonds4

About N-(2-chlorophenyl)-2-[(2-methylquinolin-4-yl)amino]acetamide

N-(2-chlorophenyl)-2-[(2-methylquinolin-4-yl)amino]acetamide (PubChem CID 46226504) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(2-methylquinolin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(2-methylquinolin-4-yl)amino]acetamide
PubChem CID46226504
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-(2-chlorophenyl)-2-[(2-methylquinolin-4-yl)amino]acetamide
SMILESCc1cc(NCC(=O)Nc2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C18H16ClN3O/c1-12-10-17(13-6-2-4-8-15(13)21-12)20-11-18(23)22-16-9-5-3-7-14(16)19/h2-10H,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyHXYPOKRROXTFTD-UHFFFAOYSA-N
XLogP4.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(2-methylquinolin-4-yl)amino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(2-methylquinolin-4-yl)amino]acetamide (CID 46226504) is N-(2-chlorophenyl)-2-[(2-methylquinolin-4-yl)amino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(2-methylquinolin-4-yl)amino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(2-methylquinolin-4-yl)amino]acetamide is Cc1cc(NCC(=O)Nc2ccccc2Cl)c2ccccc2n1.
What is the InChIKey of N-(2-chlorophenyl)-2-[(2-methylquinolin-4-yl)amino]acetamide?
The InChIKey is HXYPOKRROXTFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-12-10-17(13-6-2-4-8-15(13)21-12)20-11-18(23)22-16-9-5-3-7-14(16)19/h2-10H,11H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-(2-chlorophenyl)-2-[(2-methylquinolin-4-yl)amino]acetamide?
N-(2-chlorophenyl)-2-[(2-methylquinolin-4-yl)amino]acetamide has a molecular weight of 325.80 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(2-methylquinolin-4-yl)amino]acetamide is sourced from PubChem (CID 46226504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).