3-[[(6-bromo-3-chloro-2-methylquinolin-4-yl)amino]methyl]-4-fluorobenzamide

C18H14BrClFN3O — CID 126565883

IUPAC3-[[(6-bromo-3-chloro-2-methylquinolin-4-yl)amino]methyl]-4-fluorobenzamide
SMILESCc1nc2ccc(Br)cc2c(NCc2cc(C(N)=O)ccc2F)c1Cl
InChIInChI=1S/C18H14BrClFN3O/c1-9-16(20)17(13-7-12(19)3-5-15(13)24-9)23-8-11-6-10(18(22)25)2-4-14(11)21/h2-7H,8H2,1H3,(H2,22,25)(H,23,24)
InChIKeyHJNSYENLOMPANQ-UHFFFAOYSA-N
MW422.69 g/mol
LogP4.81
Rot. Bonds4

About 3-[[(6-bromo-3-chloro-2-methylquinolin-4-yl)amino]methyl]-4-fluorobenzamide

3-[[(6-bromo-3-chloro-2-methylquinolin-4-yl)amino]methyl]-4-fluorobenzamide (PubChem CID 126565883) has the molecular formula C18H14BrClFN3O and a molecular weight of 422.69 g/mol. Its IUPAC name is 3-[[(6-bromo-3-chloro-2-methylquinolin-4-yl)amino]methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[[(6-bromo-3-chloro-2-methylquinolin-4-yl)amino]methyl]-4-fluorobenzamide
PubChem CID126565883
Molecular FormulaC18H14BrClFN3O
Molecular Weight422.69 g/mol
Exact Mass421.00
IUPAC Name3-[[(6-bromo-3-chloro-2-methylquinolin-4-yl)amino]methyl]-4-fluorobenzamide
SMILESCc1nc2ccc(Br)cc2c(NCc2cc(C(N)=O)ccc2F)c1Cl
InChIInChI=1S/C18H14BrClFN3O/c1-9-16(20)17(13-7-12(19)3-5-15(13)24-9)23-8-11-6-10(18(22)25)2-4-14(11)21/h2-7H,8H2,1H3,(H2,22,25)(H,23,24)
InChIKeyHJNSYENLOMPANQ-UHFFFAOYSA-N
XLogP4.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.69
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(6-bromo-3-chloro-2-methylquinolin-4-yl)amino]methyl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2,5-dibromoanilino)methyl]-4-fluorobenzamide
CID 61466855
3-[(2,6-dimethylanilino)methyl]-4-fluorobenzamide
CID 62331910
3-[(3-chloro-2-methylanilino)methyl]-4-fluorobenzamide
CID 28572210
3-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]-4-fluorobenzamide
CID 79099918
2-[[5-[4-[(5-bromo-2-fluorophenyl)methylamino]-3-chloro-7-fluoro-2-methylquinolin-6-yl]pyrimidin-2-yl]-[2-(methylamino)ethyl]amino]acetaldehyde
CID 145244387
3-[[(3-bromophenyl)methylamino]methyl]-4-fluorobenzamide
CID 61401068
4-[(5-bromo-2-fluorophenyl)methylamino]benzoic acid
CID 43321686
6-[(5-bromo-2-fluorophenyl)methylamino]pyridazine-3-carboxamide
CID 79098714
3-[(2,5-dibromoanilino)methyl]-4-fluorobenzoic acid
CID 107452712
4-fluoro-3-[(propan-2-ylamino)methyl]benzamide
CID 24694362
4-[(2-fluoro-5-methylphenyl)methylamino]benzamide
CID 103830288
3-[(2,6-dimethylanilino)methyl]-4-fluorobenzoic acid
CID 107452793

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-bromo-3-chloro-2-methylquinolin-4-yl)amino]methyl]-4-fluorobenzamide?
The IUPAC name of 3-[[(6-bromo-3-chloro-2-methylquinolin-4-yl)amino]methyl]-4-fluorobenzamide (CID 126565883) is 3-[[(6-bromo-3-chloro-2-methylquinolin-4-yl)amino]methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[[(6-bromo-3-chloro-2-methylquinolin-4-yl)amino]methyl]-4-fluorobenzamide?
The canonical SMILES for 3-[[(6-bromo-3-chloro-2-methylquinolin-4-yl)amino]methyl]-4-fluorobenzamide is Cc1nc2ccc(Br)cc2c(NCc2cc(C(N)=O)ccc2F)c1Cl.
What is the InChIKey of 3-[[(6-bromo-3-chloro-2-methylquinolin-4-yl)amino]methyl]-4-fluorobenzamide?
The InChIKey is HJNSYENLOMPANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClFN3O/c1-9-16(20)17(13-7-12(19)3-5-15(13)24-9)23-8-11-6-10(18(22)25)2-4-14(11)21/h2-7H,8H2,1H3,(H2,22,25)(H,23,24).
What are the key properties of 3-[[(6-bromo-3-chloro-2-methylquinolin-4-yl)amino]methyl]-4-fluorobenzamide?
3-[[(6-bromo-3-chloro-2-methylquinolin-4-yl)amino]methyl]-4-fluorobenzamide has a molecular weight of 422.69 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-bromo-3-chloro-2-methylquinolin-4-yl)amino]methyl]-4-fluorobenzamide is sourced from PubChem (CID 126565883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).