N-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide

C24H19ClFN3O — CID 1459762

IUPACN-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1cccc2cc(CN(Cc3cccnc3)C(=O)c3ccccc3F)c(Cl)nc12
InChIInChI=1S/C24H19ClFN3O/c1-16-6-4-8-18-12-19(23(25)28-22(16)18)15-29(14-17-7-5-11-27-13-17)24(30)20-9-2-3-10-21(20)26/h2-13H,14-15H2,1H3
InChIKeyJVFKYTYNNXWDCJ-UHFFFAOYSA-N
MW419.89 g/mol
LogP5.57
Rot. Bonds5

About N-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide

N-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 1459762) has the molecular formula C24H19ClFN3O and a molecular weight of 419.89 g/mol. Its IUPAC name is N-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide
PubChem CID1459762
Molecular FormulaC24H19ClFN3O
Molecular Weight419.89 g/mol
Exact Mass419.12
IUPAC NameN-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1cccc2cc(CN(Cc3cccnc3)C(=O)c3ccccc3F)c(Cl)nc12
InChIInChI=1S/C24H19ClFN3O/c1-16-6-4-8-18-12-19(23(25)28-22(16)18)15-29(14-17-7-5-11-27-13-17)24(30)20-9-2-3-10-21(20)26/h2-13H,14-15H2,1H3
InChIKeyJVFKYTYNNXWDCJ-UHFFFAOYSA-N
XLogP5.57
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.89
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide (CID 1459762) is N-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide is Cc1cccc2cc(CN(Cc3cccnc3)C(=O)c3ccccc3F)c(Cl)nc12.
What is the InChIKey of N-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is JVFKYTYNNXWDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O/c1-16-6-4-8-18-12-19(23(25)28-22(16)18)15-29(14-17-7-5-11-27-13-17)24(30)20-9-2-3-10-21(20)26/h2-13H,14-15H2,1H3.
What are the key properties of N-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide?
N-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 419.89 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-fluoro-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 1459762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).