6-[(4-methoxyphenyl)methoxy]-3-[2-[5-(oxan-2-yloxymethyl)pyridazin-3-yl]oxyethoxy]quinoline

C29H31N3O6 — CID 168916608

IUPAC6-[(4-methoxyphenyl)methoxy]-3-[2-[5-(oxan-2-yloxymethyl)pyridazin-3-yl]oxyethoxy]quinoline
SMILESCOc1ccc(COc2ccc3ncc(OCCOc4cc(COC5CCCCO5)cnn4)cc3c2)cc1
InChIInChI=1S/C29H31N3O6/c1-33-24-7-5-21(6-8-24)19-37-25-9-10-27-23(15-25)16-26(18-30-27)34-12-13-35-28-14-22(17-31-32-28)20-38-29-4-2-3-11-36-29/h5-10,14-18,29H,2-4,11-13,19-20H2,1H3
InChIKeyDNJAVSIQZBQRHU-UHFFFAOYSA-N
MW517.58 g/mol
LogP5.11
Rot. Bonds12

About 6-[(4-methoxyphenyl)methoxy]-3-[2-[5-(oxan-2-yloxymethyl)pyridazin-3-yl]oxyethoxy]quinoline

6-[(4-methoxyphenyl)methoxy]-3-[2-[5-(oxan-2-yloxymethyl)pyridazin-3-yl]oxyethoxy]quinoline (PubChem CID 168916608) has the molecular formula C29H31N3O6 and a molecular weight of 517.58 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methoxy]-3-[2-[5-(oxan-2-yloxymethyl)pyridazin-3-yl]oxyethoxy]quinoline.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methoxy]-3-[2-[5-(oxan-2-yloxymethyl)pyridazin-3-yl]oxyethoxy]quinoline
PubChem CID168916608
Molecular FormulaC29H31N3O6
Molecular Weight517.58 g/mol
Exact Mass517.22
IUPAC Name6-[(4-methoxyphenyl)methoxy]-3-[2-[5-(oxan-2-yloxymethyl)pyridazin-3-yl]oxyethoxy]quinoline
SMILESCOc1ccc(COc2ccc3ncc(OCCOc4cc(COC5CCCCO5)cnn4)cc3c2)cc1
InChIInChI=1S/C29H31N3O6/c1-33-24-7-5-21(6-8-24)19-37-25-9-10-27-23(15-25)16-26(18-30-27)34-12-13-35-28-14-22(17-31-32-28)20-38-29-4-2-3-11-36-29/h5-10,14-18,29H,2-4,11-13,19-20H2,1H3
InChIKeyDNJAVSIQZBQRHU-UHFFFAOYSA-N
XLogP5.11
TPSA94.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.58
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[(4-methoxyphenyl)methoxy]-3-[2-[5-(oxan-2-yloxymethyl)pyridazin-3-yl]oxyethoxy]quinoline with MolForge

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Related Compounds

2-[(4-methoxyphenyl)methoxy]oxolane
CID 10899818
6-bromo-2-methoxy-3-[2-[[5-(oxan-2-yloxymethyl)-3-pyridinyl]oxy]ethoxy]quinoline
CID 168916704
2-[(3,5-dimethoxyphenyl)methoxy]oxane
CID 173090369
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
2-[[3-methoxy-4-[2-(4-prop-2-enoxyphenoxy)ethoxy]phenyl]methoxy]oxane
CID 102211763
2-[(4-methoxy-3-methylphenyl)methoxy]oxane
CID 66596594
2-bromo-3-methyl-5-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 178150765
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
3,4-dimethyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridazine
CID 99799558
[4-(oxan-2-yloxymethyl)phenyl]-di(propan-2-yl)silanylium
CID 143652395
2-[2-(4-bromo-3-methylphenoxy)ethoxy]oxane
CID 67314274
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methoxy]-3-[2-[5-(oxan-2-yloxymethyl)pyridazin-3-yl]oxyethoxy]quinoline?
The IUPAC name of 6-[(4-methoxyphenyl)methoxy]-3-[2-[5-(oxan-2-yloxymethyl)pyridazin-3-yl]oxyethoxy]quinoline (CID 168916608) is 6-[(4-methoxyphenyl)methoxy]-3-[2-[5-(oxan-2-yloxymethyl)pyridazin-3-yl]oxyethoxy]quinoline.
What is the SMILES notation for 6-[(4-methoxyphenyl)methoxy]-3-[2-[5-(oxan-2-yloxymethyl)pyridazin-3-yl]oxyethoxy]quinoline?
The canonical SMILES for 6-[(4-methoxyphenyl)methoxy]-3-[2-[5-(oxan-2-yloxymethyl)pyridazin-3-yl]oxyethoxy]quinoline is COc1ccc(COc2ccc3ncc(OCCOc4cc(COC5CCCCO5)cnn4)cc3c2)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methoxy]-3-[2-[5-(oxan-2-yloxymethyl)pyridazin-3-yl]oxyethoxy]quinoline?
The InChIKey is DNJAVSIQZBQRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O6/c1-33-24-7-5-21(6-8-24)19-37-25-9-10-27-23(15-25)16-26(18-30-27)34-12-13-35-28-14-22(17-31-32-28)20-38-29-4-2-3-11-36-29/h5-10,14-18,29H,2-4,11-13,19-20H2,1H3.
What are the key properties of 6-[(4-methoxyphenyl)methoxy]-3-[2-[5-(oxan-2-yloxymethyl)pyridazin-3-yl]oxyethoxy]quinoline?
6-[(4-methoxyphenyl)methoxy]-3-[2-[5-(oxan-2-yloxymethyl)pyridazin-3-yl]oxyethoxy]quinoline has a molecular weight of 517.58 g/mol, XLogP of 5.11, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methoxy]-3-[2-[5-(oxan-2-yloxymethyl)pyridazin-3-yl]oxyethoxy]quinoline is sourced from PubChem (CID 168916608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).