2-(methoxymethyl)-4-methylquinoline

C12H13NO — CID 13028876

IUPAC2-(methoxymethyl)-4-methylquinoline
SMILESCOCc1cc(C)c2ccccc2n1
InChIInChI=1S/C12H13NO/c1-9-7-10(8-14-2)13-12-6-4-3-5-11(9)12/h3-7H,8H2,1-2H3
InChIKeyYYKBTFCQVWWFHH-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.69
Rot. Bonds2

About 2-(methoxymethyl)-4-methylquinoline

2-(methoxymethyl)-4-methylquinoline (PubChem CID 13028876) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methylquinoline.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methylquinoline
PubChem CID13028876
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-(methoxymethyl)-4-methylquinoline
SMILESCOCc1cc(C)c2ccccc2n1
InChIInChI=1S/C12H13NO/c1-9-7-10(8-14-2)13-12-6-4-3-5-11(9)12/h3-7H,8H2,1-2H3
InChIKeyYYKBTFCQVWWFHH-UHFFFAOYSA-N
XLogP2.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methylquinoline?
The IUPAC name of 2-(methoxymethyl)-4-methylquinoline (CID 13028876) is 2-(methoxymethyl)-4-methylquinoline.
What is the SMILES notation for 2-(methoxymethyl)-4-methylquinoline?
The canonical SMILES for 2-(methoxymethyl)-4-methylquinoline is COCc1cc(C)c2ccccc2n1.
What is the InChIKey of 2-(methoxymethyl)-4-methylquinoline?
The InChIKey is YYKBTFCQVWWFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-7-10(8-14-2)13-12-6-4-3-5-11(9)12/h3-7H,8H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-4-methylquinoline?
2-(methoxymethyl)-4-methylquinoline has a molecular weight of 187.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methylquinoline is sourced from PubChem (CID 13028876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).