N-[2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]quinolin-6-yl]acetamide

C20H20N6O — CID 146040904

IUPACN-[2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3nccn3CCc3cnn(C)c3)ccc2c1
InChIInChI=1S/C20H20N6O/c1-14(27)23-17-4-6-18-16(11-17)3-5-19(24-18)20-21-8-10-26(20)9-7-15-12-22-25(2)13-15/h3-6,8,10-13H,7,9H2,1-2H3,(H,23,27)
InChIKeyPWEWUVQPIYRWCR-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.03
Rot. Bonds5

About N-[2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]quinolin-6-yl]acetamide

N-[2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]quinolin-6-yl]acetamide (PubChem CID 146040904) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]quinolin-6-yl]acetamide
PubChem CID146040904
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-[2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3nccn3CCc3cnn(C)c3)ccc2c1
InChIInChI=1S/C20H20N6O/c1-14(27)23-17-4-6-18-16(11-17)3-5-19(24-18)20-21-8-10-26(20)9-7-15-12-22-25(2)13-15/h3-6,8,10-13H,7,9H2,1-2H3,(H,23,27)
InChIKeyPWEWUVQPIYRWCR-UHFFFAOYSA-N
XLogP3.03
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide
CID 78905445
2-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylacetamide
CID 171706123
1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole
CID 154819420
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole
CID 146040358
7-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]pyrazolo[1,5-a]pyridine
CID 154566522
formic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide
CID 154922508
N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide
CID 82559349
1-methyl-4-[2-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]ethyl]pyrazole
CID 146044354
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]sulfanylacetic acid
CID 80688800
N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024241
1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde
CID 103005379
1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbothioamide
CID 103015046

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]quinolin-6-yl]acetamide?
The IUPAC name of N-[2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]quinolin-6-yl]acetamide (CID 146040904) is N-[2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]quinolin-6-yl]acetamide.
What is the SMILES notation for N-[2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]quinolin-6-yl]acetamide?
The canonical SMILES for N-[2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]quinolin-6-yl]acetamide is CC(=O)Nc1ccc2nc(-c3nccn3CCc3cnn(C)c3)ccc2c1.
What is the InChIKey of N-[2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]quinolin-6-yl]acetamide?
The InChIKey is PWEWUVQPIYRWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-14(27)23-17-4-6-18-16(11-17)3-5-19(24-18)20-21-8-10-26(20)9-7-15-12-22-25(2)13-15/h3-6,8,10-13H,7,9H2,1-2H3,(H,23,27).
What are the key properties of N-[2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]quinolin-6-yl]acetamide?
N-[2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]quinolin-6-yl]acetamide has a molecular weight of 360.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]quinolin-6-yl]acetamide is sourced from PubChem (CID 146040904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).