8-(methoxymethoxy)-2-methyl-5,7-dipyridin-4-ylquinoline

C44H38N6O4 — CID 139164454

IUPAC8-(methoxymethoxy)-2-methyl-5,7-dipyridin-4-ylquinoline
SMILESCOCOc1c(-c2ccncc2)cc(-c2ccncc2)c2ccc(C)nc12.COCOc1c(-c2ccncc2)cc(-c2ccncc2)c2ccc(C)nc12
InChIInChI=1S/2C22H19N3O2/c2*1-15-3-4-18-19(16-5-9-23-10-6-16)13-20(17-7-11-24-12-8-17)22(21(18)25-15)27-14-26-2/h2*3-13H,14H2,1-2H3
InChIKeyDLBBAVNVOQQTGR-UHFFFAOYSA-N
MW714.83 g/mol
LogP9.30
Rot. Bonds10

About 8-(methoxymethoxy)-2-methyl-5,7-dipyridin-4-ylquinoline

8-(methoxymethoxy)-2-methyl-5,7-dipyridin-4-ylquinoline (PubChem CID 139164454) has the molecular formula C44H38N6O4 and a molecular weight of 714.83 g/mol. Its IUPAC name is 8-(methoxymethoxy)-2-methyl-5,7-dipyridin-4-ylquinoline.

Molecular Properties

Compound Name8-(methoxymethoxy)-2-methyl-5,7-dipyridin-4-ylquinoline
PubChem CID139164454
Molecular FormulaC44H38N6O4
Molecular Weight714.83 g/mol
Exact Mass714.30
IUPAC Name8-(methoxymethoxy)-2-methyl-5,7-dipyridin-4-ylquinoline
SMILESCOCOc1c(-c2ccncc2)cc(-c2ccncc2)c2ccc(C)nc12.COCOc1c(-c2ccncc2)cc(-c2ccncc2)c2ccc(C)nc12
InChIInChI=1S/2C22H19N3O2/c2*1-15-3-4-18-19(16-5-9-23-10-6-16)13-20(17-7-11-24-12-8-17)22(21(18)25-15)27-14-26-2/h2*3-13H,14H2,1-2H3
InChIKeyDLBBAVNVOQQTGR-UHFFFAOYSA-N
XLogP9.30
TPSA114.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.83
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-Methoxyphenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
CID 326315
5-(8-Hydroxy-7-piperidin-1-ylmethyl-isoquinolin-5-ylmethyl)-7-piperidin-1-ylmethyl-quinolin-8-ol
CID 136180343
13-Pyridin-4-yl-2-oxa-5,22-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,7,10,14,16(21)-octaen-15-amine
CID 137653258
3-(1,2,3,4-Tetrahydronaphthalen-1-yl)-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
CID 168280838
6,7-Dimethoxy-4-[(8-methoxyquinolin-2-yl)methyl]isoquinoline
CID 74539414
8-(Quinolin-8-yloxymethoxy)quinoline
CID 25267858
3-[(4-Methoxyphenyl)methyl]-6-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
CID 321684
5-[[(8-Methoxyquinolin-5-yl)methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]quinolin-8-ol
CID 46881039
8-(Isoquinolin-1-yloxy)-5-(morpholin-4-ylmethyl)quinoline
CID 56713235
8-(Benzyloxy)-5,7-diphenylquinoline
CID 25164114
3-[(4-Fluorophenyl)methyl]-8-methoxy-7-methyl-5-propylquinoline
CID 71104106
3-[(4-fluorophenyl)methyl]-8-methoxy-7-methyl-5-[(E)-prop-1-enyl]quinoline
CID 89278669

Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethoxy)-2-methyl-5,7-dipyridin-4-ylquinoline?
The IUPAC name of 8-(methoxymethoxy)-2-methyl-5,7-dipyridin-4-ylquinoline (CID 139164454) is 8-(methoxymethoxy)-2-methyl-5,7-dipyridin-4-ylquinoline.
What is the SMILES notation for 8-(methoxymethoxy)-2-methyl-5,7-dipyridin-4-ylquinoline?
The canonical SMILES for 8-(methoxymethoxy)-2-methyl-5,7-dipyridin-4-ylquinoline is COCOc1c(-c2ccncc2)cc(-c2ccncc2)c2ccc(C)nc12.COCOc1c(-c2ccncc2)cc(-c2ccncc2)c2ccc(C)nc12.
What is the InChIKey of 8-(methoxymethoxy)-2-methyl-5,7-dipyridin-4-ylquinoline?
The InChIKey is DLBBAVNVOQQTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H19N3O2/c2*1-15-3-4-18-19(16-5-9-23-10-6-16)13-20(17-7-11-24-12-8-17)22(21(18)25-15)27-14-26-2/h2*3-13H,14H2,1-2H3.
What are the key properties of 8-(methoxymethoxy)-2-methyl-5,7-dipyridin-4-ylquinoline?
8-(methoxymethoxy)-2-methyl-5,7-dipyridin-4-ylquinoline has a molecular weight of 714.83 g/mol, XLogP of 9.30, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethoxy)-2-methyl-5,7-dipyridin-4-ylquinoline is sourced from PubChem (CID 139164454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).