N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide

C22H20N4O — CID 55507398

IUPACN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide
SMILESO=C(Cc1cccc2cccnc12)NCc1ccccc1Cn1ccnc1
InChIInChI=1S/C22H20N4O/c27-21(13-18-8-3-7-17-9-4-10-24-22(17)18)25-14-19-5-1-2-6-20(19)15-26-12-11-23-16-26/h1-12,16H,13-15H2,(H,25,27)
InChIKeyDJLNHLFHRGBVSI-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.34
Rot. Bonds6

About N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide

N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide (PubChem CID 55507398) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide
PubChem CID55507398
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide
SMILESO=C(Cc1cccc2cccnc12)NCc1ccccc1Cn1ccnc1
InChIInChI=1S/C22H20N4O/c27-21(13-18-8-3-7-17-9-4-10-24-22(17)18)25-14-19-5-1-2-6-20(19)15-26-12-11-23-16-26/h1-12,16H,13-15H2,(H,25,27)
InChIKeyDJLNHLFHRGBVSI-UHFFFAOYSA-N
XLogP3.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]quinoline-8-carboxamide
CID 55871851
N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 51307001
4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide
CID 120564401
2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119838755
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55475405
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide
CID 24650010
N'-(2-quinolin-8-ylacetyl)benzohydrazide
CID 24663185
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 39518233
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 55475406

Frequently Asked Questions

What is the IUPAC name of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide?
The IUPAC name of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide (CID 55507398) is N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide?
The canonical SMILES for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide is O=C(Cc1cccc2cccnc12)NCc1ccccc1Cn1ccnc1.
What is the InChIKey of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide?
The InChIKey is DJLNHLFHRGBVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-21(13-18-8-3-7-17-9-4-10-24-22(17)18)25-14-19-5-1-2-6-20(19)15-26-12-11-23-16-26/h1-12,16H,13-15H2,(H,25,27).
What are the key properties of N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide?
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide has a molecular weight of 356.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-quinolin-8-ylacetamide is sourced from PubChem (CID 55507398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).