3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline

C20H18N4 — CID 166178950

IUPAC3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline
SMILESCc1ccc2cc(CNc3cccc(-n4ccnc4)c3)ccc2n1
InChIInChI=1S/C20H18N4/c1-15-5-7-17-11-16(6-8-20(17)23-15)13-22-18-3-2-4-19(12-18)24-10-9-21-14-24/h2-12,14,22H,13H2,1H3
InChIKeyZBNROQPOOGLDOY-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.34
Rot. Bonds4

About 3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline

3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline (PubChem CID 166178950) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline
PubChem CID166178950
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline
SMILESCc1ccc2cc(CNc3cccc(-n4ccnc4)c3)ccc2n1
InChIInChI=1S/C20H18N4/c1-15-5-7-17-11-16(6-8-20(17)23-15)13-22-18-3-2-4-19(12-18)24-10-9-21-14-24/h2-12,14,22H,13H2,1H3
InChIKeyZBNROQPOOGLDOY-UHFFFAOYSA-N
XLogP4.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756648
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
CID 43678338
4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 43678301
2-fluoro-4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 107685401
N-[(3-bromo-4-fluorophenyl)methyl]-3-imidazol-1-ylaniline
CID 43678377
3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline
CID 43678312
N-[(2-methylquinolin-6-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]aniline
CID 124621316
N-[(2-methylquinolin-6-yl)methyl]-3-(methylsulfinylmethyl)aniline
CID 122150026
N-[(4-fluoro-2-methylphenyl)methyl]-3-imidazol-1-ylaniline
CID 62134903
3-imidazol-1-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868679
3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818766
3-imidazol-1-yl-N-(2-phenylethyl)aniline
CID 43678331

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline?
The IUPAC name of 3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline (CID 166178950) is 3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline.
What is the SMILES notation for 3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline?
The canonical SMILES for 3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline is Cc1ccc2cc(CNc3cccc(-n4ccnc4)c3)ccc2n1.
What is the InChIKey of 3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline?
The InChIKey is ZBNROQPOOGLDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-15-5-7-17-11-16(6-8-20(17)23-15)13-22-18-3-2-4-19(12-18)24-10-9-21-14-24/h2-12,14,22H,13H2,1H3.
What are the key properties of 3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline?
3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline has a molecular weight of 314.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(2-methylquinolin-6-yl)methyl]aniline is sourced from PubChem (CID 166178950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).