2-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]-4-methylquinoline

C16H14ClN3O — CID 114754588

IUPAC2-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]-4-methylquinoline
SMILESCOCc1cc(Cl)nc(-c2cc(C)c3ccccc3n2)n1
InChIInChI=1S/C16H14ClN3O/c1-10-7-14(19-13-6-4-3-5-12(10)13)16-18-11(9-21-2)8-15(17)20-16/h3-8H,9H2,1-2H3
InChIKeyUXPLOIRPRZTOEM-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.80
Rot. Bonds3

About 2-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]-4-methylquinoline

2-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]-4-methylquinoline (PubChem CID 114754588) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]-4-methylquinoline.

Molecular Properties

Compound Name2-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]-4-methylquinoline
PubChem CID114754588
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]-4-methylquinoline
SMILESCOCc1cc(Cl)nc(-c2cc(C)c3ccccc3n2)n1
InChIInChI=1S/C16H14ClN3O/c1-10-7-14(19-13-6-4-3-5-12(10)13)16-18-11(9-21-2)8-15(17)20-16/h3-8H,9H2,1-2H3
InChIKeyUXPLOIRPRZTOEM-UHFFFAOYSA-N
XLogP3.80
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine
CID 62319942
4-(methoxymethyl)-2-(4-methylquinolin-2-yl)-1,3-thiazole
CID 107511797
1-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]isoquinoline
CID 63948424
4-chloro-6-(methoxymethyl)-2-(2-phenyltriazol-4-yl)pyrimidine
CID 62320132
2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-4-methylquinoline
CID 114754592
4-chloro-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidine
CID 62320318
2-(4-methylquinolin-2-yl)-6-propylpyrimidin-4-amine
CID 114755413
2-(methoxymethyl)quinolin-4-amine
CID 62320068
4-chloro-2-(4-methylquinolin-2-yl)thieno[2,3-d]pyrimidine
CID 114754484
6-(methoxymethyl)-2-quinolin-2-ylpyrimidin-4-amine
CID 63222645
4-tert-butyl-2-(methoxymethyl)quinoline
CID 165372227
4-methyl-6-(4-methylquinolin-2-yl)-1,3,5-triazin-2-amine
CID 114755546

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]-4-methylquinoline?
The IUPAC name of 2-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]-4-methylquinoline (CID 114754588) is 2-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]-4-methylquinoline.
What is the SMILES notation for 2-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]-4-methylquinoline?
The canonical SMILES for 2-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]-4-methylquinoline is COCc1cc(Cl)nc(-c2cc(C)c3ccccc3n2)n1.
What is the InChIKey of 2-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]-4-methylquinoline?
The InChIKey is UXPLOIRPRZTOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-10-7-14(19-13-6-4-3-5-12(10)13)16-18-11(9-21-2)8-15(17)20-16/h3-8H,9H2,1-2H3.
What are the key properties of 2-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]-4-methylquinoline?
2-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]-4-methylquinoline has a molecular weight of 299.76 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]-4-methylquinoline is sourced from PubChem (CID 114754588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).