4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline

C16H17N3 — CID 79240800

IUPAC4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline
SMILESCC(C)c1nccn1Cc1ccnc2ccccc12
InChIInChI=1S/C16H17N3/c1-12(2)16-18-9-10-19(16)11-13-7-8-17-15-6-4-3-5-14(13)15/h3-10,12H,11H2,1-2H3
InChIKeyHZFKRIWUMKFJDP-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.60
Rot. Bonds3

About 4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline

4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline (PubChem CID 79240800) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline.

Molecular Properties

Compound Name4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline
PubChem CID79240800
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline
SMILESCC(C)c1nccn1Cc1ccnc2ccccc12
InChIInChI=1S/C16H17N3/c1-12(2)16-18-9-10-19(16)11-13-7-8-17-15-6-4-3-5-14(13)15/h3-10,12H,11H2,1-2H3
InChIKeyHZFKRIWUMKFJDP-UHFFFAOYSA-N
XLogP3.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline 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

2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid
CID 113314417
3-[(2-propan-2-ylimidazol-1-yl)methyl]pyridin-2-amine
CID 62464912
4-(pyrrol-1-ylmethyl)quinoline
CID 79240222
[2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 107113824
3-amino-1-(quinolin-4-ylmethyl)pyridin-2-one
CID 79235393
methyl 1-(quinolin-4-ylmethyl)pyrrole-2-carboxylate
CID 154695130
1-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]propan-2-amine
CID 79240540
1-(2-fluoroethyl)-2-propan-2-ylimidazole
CID 80694983
2-naphthalen-1-yl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 56682911
2-methyl-4-[(2-methylimidazol-1-yl)methyl]quinoline
CID 78995513
3-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]benzonitrile
CID 114481345
4-[[4-(1-bromoethyl)triazol-1-yl]methyl]quinoline
CID 81448335

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline?
The IUPAC name of 4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline (CID 79240800) is 4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline.
What is the SMILES notation for 4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline?
The canonical SMILES for 4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline is CC(C)c1nccn1Cc1ccnc2ccccc12.
What is the InChIKey of 4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline?
The InChIKey is HZFKRIWUMKFJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12(2)16-18-9-10-19(16)11-13-7-8-17-15-6-4-3-5-14(13)15/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline?
4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline has a molecular weight of 251.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline is sourced from PubChem (CID 79240800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).