4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine

C20H22ClN3 — CID 70849512

IUPAC4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine
SMILESCCNc1cccc2c(NCc3ccc(C)c(Cl)c3)cc(C)nc12
InChIInChI=1S/C20H22ClN3/c1-4-22-18-7-5-6-16-19(10-14(3)24-20(16)18)23-12-15-9-8-13(2)17(21)11-15/h5-11,22H,4,12H2,1-3H3,(H,23,24)
InChIKeyXSVOJXGWPYPRIG-UHFFFAOYSA-N
MW339.87 g/mol
LogP5.55
Rot. Bonds5

About 4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine

4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine (PubChem CID 70849512) has the molecular formula C20H22ClN3 and a molecular weight of 339.87 g/mol. Its IUPAC name is 4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine
PubChem CID70849512
Molecular FormulaC20H22ClN3
Molecular Weight339.87 g/mol
Exact Mass339.15
IUPAC Name4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine
SMILESCCNc1cccc2c(NCc3ccc(C)c(Cl)c3)cc(C)nc12
InChIInChI=1S/C20H22ClN3/c1-4-22-18-7-5-6-16-19(10-14(3)24-20(16)18)23-12-15-9-8-13(2)17(21)11-15/h5-11,22H,4,12H2,1-3H3,(H,23,24)
InChIKeyXSVOJXGWPYPRIG-UHFFFAOYSA-N
XLogP5.55
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.87
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine with MolForge

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine
CID 106816010
N-[4-[(3,4-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]benzamide
CID 59474775
N-[(3,4-dichlorophenyl)methyl]-2-methyl-8-morpholin-4-ylquinolin-4-amine
CID 25217464
N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine
CID 106816379
[4-[(2,3-dichlorophenyl)methylamino]-2-methylquinolin-8-yl]methanol
CID 122186007
2-methyl-4-[(4-methylphenyl)methylamino]quinoline-8-carboxamide
CID 122185951
4-[(2,6-dichlorophenyl)methylamino]-2-methylquinoline-8-carboxamide
CID 122185963
8-chloro-N-ethyl-6-iodo-2-methylquinolin-4-amine
CID 107607884
N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 106816557
N-[(2-chlorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine
CID 19900495
2,6-dibromo-N-[(3-chloro-4-methylphenyl)methyl]aniline
CID 107597207
N-[(4-ethylphenyl)methyl]-2-methylquinolin-4-amine
CID 106900074

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine?
The IUPAC name of 4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine (CID 70849512) is 4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine.
What is the SMILES notation for 4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine?
The canonical SMILES for 4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine is CCNc1cccc2c(NCc3ccc(C)c(Cl)c3)cc(C)nc12.
What is the InChIKey of 4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine?
The InChIKey is XSVOJXGWPYPRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3/c1-4-22-18-7-5-6-16-19(10-14(3)24-20(16)18)23-12-15-9-8-13(2)17(21)11-15/h5-11,22H,4,12H2,1-3H3,(H,23,24).
What are the key properties of 4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine?
4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine has a molecular weight of 339.87 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine is sourced from PubChem (CID 70849512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).