3-(2-methoxypyrimidin-5-yl)quinoline

C14H11N3O — CID 101347673

IUPAC3-(2-methoxypyrimidin-5-yl)quinoline
SMILESCOc1ncc(-c2cnc3ccccc3c2)cn1
InChIInChI=1S/C14H11N3O/c1-18-14-16-8-12(9-17-14)11-6-10-4-2-3-5-13(10)15-7-11/h2-9H,1H3
InChIKeyYLKNQSONUZKYHO-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.70
Rot. Bonds2

About 3-(2-methoxypyrimidin-5-yl)quinoline

3-(2-methoxypyrimidin-5-yl)quinoline (PubChem CID 101347673) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(2-methoxypyrimidin-5-yl)quinoline.

Molecular Properties

Compound Name3-(2-methoxypyrimidin-5-yl)quinoline
PubChem CID101347673
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name3-(2-methoxypyrimidin-5-yl)quinoline
SMILESCOc1ncc(-c2cnc3ccccc3c2)cn1
InChIInChI=1S/C14H11N3O/c1-18-14-16-8-12(9-17-14)11-6-10-4-2-3-5-13(10)15-7-11/h2-9H,1H3
InChIKeyYLKNQSONUZKYHO-UHFFFAOYSA-N
XLogP2.70
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-methoxypyrimidin-5-yl)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

Quinazoline
CID 9210
6-Aminoquinazoline
CID 589288
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
N-Benzylquinazolin-4-amine
CID 616573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Quinazolin-2-amine
CID 519332
Sri-9439
CID 446752
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N-(2-phenylethyl)quinazolin-4-amine
CID 198909
4-Anilinoquinazoline
CID 324081

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypyrimidin-5-yl)quinoline?
The IUPAC name of 3-(2-methoxypyrimidin-5-yl)quinoline (CID 101347673) is 3-(2-methoxypyrimidin-5-yl)quinoline.
What is the SMILES notation for 3-(2-methoxypyrimidin-5-yl)quinoline?
The canonical SMILES for 3-(2-methoxypyrimidin-5-yl)quinoline is COc1ncc(-c2cnc3ccccc3c2)cn1.
What is the InChIKey of 3-(2-methoxypyrimidin-5-yl)quinoline?
The InChIKey is YLKNQSONUZKYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-18-14-16-8-12(9-17-14)11-6-10-4-2-3-5-13(10)15-7-11/h2-9H,1H3.
What are the key properties of 3-(2-methoxypyrimidin-5-yl)quinoline?
3-(2-methoxypyrimidin-5-yl)quinoline has a molecular weight of 237.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypyrimidin-5-yl)quinoline is sourced from PubChem (CID 101347673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).