3-methyl-2-[[5-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]oxymethyl]-4-phenylmethoxyquinoline

C30H32N2O4 — CID 59526991

IUPAC3-methyl-2-[[5-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]oxymethyl]-4-phenylmethoxyquinoline
SMILESCc1c(COc2cncc(OCCC3CCOCC3)c2)nc2ccccc2c1OCc1ccccc1
InChIInChI=1S/C30H32N2O4/c1-22-29(21-35-26-17-25(18-31-19-26)34-16-13-23-11-14-33-15-12-23)32-28-10-6-5-9-27(28)30(22)36-20-24-7-3-2-4-8-24/h2-10,17-19,23H,11-16,20-21H2,1H3
InChIKeyNRVVORDDNJUXGK-UHFFFAOYSA-N
MW484.60 g/mol
LogP6.29
Rot. Bonds10

About 3-methyl-2-[[5-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]oxymethyl]-4-phenylmethoxyquinoline

3-methyl-2-[[5-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]oxymethyl]-4-phenylmethoxyquinoline (PubChem CID 59526991) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is 3-methyl-2-[[5-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]oxymethyl]-4-phenylmethoxyquinoline.

Molecular Properties

Compound Name3-methyl-2-[[5-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]oxymethyl]-4-phenylmethoxyquinoline
PubChem CID59526991
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Name3-methyl-2-[[5-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]oxymethyl]-4-phenylmethoxyquinoline
SMILESCc1c(COc2cncc(OCCC3CCOCC3)c2)nc2ccccc2c1OCc1ccccc1
InChIInChI=1S/C30H32N2O4/c1-22-29(21-35-26-17-25(18-31-19-26)34-16-13-23-11-14-33-15-12-23)32-28-10-6-5-9-27(28)30(22)36-20-24-7-3-2-4-8-24/h2-10,17-19,23H,11-16,20-21H2,1H3
InChIKeyNRVVORDDNJUXGK-UHFFFAOYSA-N
XLogP6.29
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-2-[[5-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]oxymethyl]-4-phenylmethoxyquinoline with MolForge

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Related Compounds

4-butoxy-3-methyl-2-[[5-(oxan-4-ylmethoxy)-3-pyridinyl]oxymethyl]quinoline
CID 70839607
2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol
CID 59527442
1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol
CID 59527448
4-butoxy-3-methyl-2-[[2-(oxan-4-ylmethoxy)-4-pyridinyl]oxymethyl]quinoline
CID 70839489
(3-methyl-4-phenylmethoxyquinolin-2-yl)methanol
CID 68508380
4-butoxy-3-methyl-2-[[4-(oxan-4-ylmethoxymethyl)-2-pyridinyl]oxymethyl]quinoline
CID 70839324
1-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone
CID 59526930
(3-methyl-4-phenylmethoxyquinolin-2-yl)methyl morpholine-4-carboxylate
CID 59527580
3-methyl-2-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-4-phenylmethoxyquinoline
CID 59526885
3-methyl-4-phenylmethoxy-2-(pyridin-2-yloxymethyl)quinoline
CID 59527387
4-butoxy-6-fluoro-3-methyl-2-[[4-[2-(oxan-4-yl)ethoxy]-2-pyridinyl]oxymethyl]quinoline
CID 70839384
2-[[3-[4-(2-methoxyethoxy)piperidin-1-yl]phenoxy]methyl]-3-methyl-4-phenylmethoxyquinoline
CID 59527353

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[5-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]oxymethyl]-4-phenylmethoxyquinoline?
The IUPAC name of 3-methyl-2-[[5-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]oxymethyl]-4-phenylmethoxyquinoline (CID 59526991) is 3-methyl-2-[[5-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]oxymethyl]-4-phenylmethoxyquinoline.
What is the SMILES notation for 3-methyl-2-[[5-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]oxymethyl]-4-phenylmethoxyquinoline?
The canonical SMILES for 3-methyl-2-[[5-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]oxymethyl]-4-phenylmethoxyquinoline is Cc1c(COc2cncc(OCCC3CCOCC3)c2)nc2ccccc2c1OCc1ccccc1.
What is the InChIKey of 3-methyl-2-[[5-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]oxymethyl]-4-phenylmethoxyquinoline?
The InChIKey is NRVVORDDNJUXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-22-29(21-35-26-17-25(18-31-19-26)34-16-13-23-11-14-33-15-12-23)32-28-10-6-5-9-27(28)30(22)36-20-24-7-3-2-4-8-24/h2-10,17-19,23H,11-16,20-21H2,1H3.
What are the key properties of 3-methyl-2-[[5-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]oxymethyl]-4-phenylmethoxyquinoline?
3-methyl-2-[[5-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]oxymethyl]-4-phenylmethoxyquinoline has a molecular weight of 484.60 g/mol, XLogP of 6.29, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[5-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]oxymethyl]-4-phenylmethoxyquinoline is sourced from PubChem (CID 59526991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).