7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline

C21H24N2O2 — CID 156880216

IUPAC7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline
SMILESCOCOc1ccc2c(-c3ccnc(C)c3)c(C(C)C)c(C)nc2c1
InChIInChI=1S/C21H24N2O2/c1-13(2)20-15(4)23-19-11-17(25-12-24-5)6-7-18(19)21(20)16-8-9-22-14(3)10-16/h6-11,13H,12H2,1-5H3
InChIKeyKBSOIHUKNLACJJ-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.02
Rot. Bonds5

About 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline

7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline (PubChem CID 156880216) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline.

Molecular Properties

Compound Name7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline
PubChem CID156880216
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline
SMILESCOCOc1ccc2c(-c3ccnc(C)c3)c(C(C)C)c(C)nc2c1
InChIInChI=1S/C21H24N2O2/c1-13(2)20-15(4)23-19-11-17(25-12-24-5)6-7-18(19)21(20)16-8-9-22-14(3)10-16/h6-11,13H,12H2,1-5H3
InChIKeyKBSOIHUKNLACJJ-UHFFFAOYSA-N
XLogP5.02
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-2-methyl-3-propan-2-ylquinolin-7-ol
CID 156880462
4-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-methylpyridine
CID 90361413
4-chloro-6-(difluoromethoxy)-2-methyl-3-propan-2-ylquinoline
CID 63409240
2-[6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane
CID 172770532
1,4-bis(methoxymethoxy)benzene
CID 542643
2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole
CID 138688585
4-chloro-7-fluoro-2-methyl-3-propan-2-ylquinoline
CID 103996066
4-chloro-7-methoxy-2-propan-2-ylquinazoline
CID 106584178
4-(2,6-dimethylphenyl)-2-methylpyridine
CID 126725908
6-(methoxymethoxy)-2-[(E)-2-(2-methoxy-4-pyridinyl)ethenyl]quinoline
CID 130185200
4-chloro-7-(2-methoxyethoxy)quinoline
CID 22265262
6-methoxy-9-(2-methyl-4-pyridinyl)-1H-diazonine
CID 123778324

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline?
The IUPAC name of 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline (CID 156880216) is 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline.
What is the SMILES notation for 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline?
The canonical SMILES for 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline is COCOc1ccc2c(-c3ccnc(C)c3)c(C(C)C)c(C)nc2c1.
What is the InChIKey of 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline?
The InChIKey is KBSOIHUKNLACJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-13(2)20-15(4)23-19-11-17(25-12-24-5)6-7-18(19)21(20)16-8-9-22-14(3)10-16/h6-11,13H,12H2,1-5H3.
What are the key properties of 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline?
7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline has a molecular weight of 336.44 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethoxy)-2-methyl-4-(2-methyl-4-pyridinyl)-3-propan-2-ylquinoline is sourced from PubChem (CID 156880216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).