2-[[4-(3-methoxy-3-methylbutoxy)-2-pyridinyl]oxymethyl]-3-methyl-4-phenylmethoxyquinoline

C29H32N2O4 — CID 59526863

IUPAC2-[[4-(3-methoxy-3-methylbutoxy)-2-pyridinyl]oxymethyl]-3-methyl-4-phenylmethoxyquinoline
SMILESCOC(C)(C)CCOc1ccnc(OCc2nc3ccccc3c(OCc3ccccc3)c2C)c1
InChIInChI=1S/C29H32N2O4/c1-21-26(20-34-27-18-23(14-16-30-27)33-17-15-29(2,3)32-4)31-25-13-9-8-12-24(25)28(21)35-19-22-10-6-5-7-11-22/h5-14,16,18H,15,17,19-20H2,1-4H3
InChIKeyQSWHOOWWQAJOEB-UHFFFAOYSA-N
MW472.59 g/mol
LogP6.29
Rot. Bonds11

About 2-[[4-(3-methoxy-3-methylbutoxy)-2-pyridinyl]oxymethyl]-3-methyl-4-phenylmethoxyquinoline

2-[[4-(3-methoxy-3-methylbutoxy)-2-pyridinyl]oxymethyl]-3-methyl-4-phenylmethoxyquinoline (PubChem CID 59526863) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-[[4-(3-methoxy-3-methylbutoxy)-2-pyridinyl]oxymethyl]-3-methyl-4-phenylmethoxyquinoline.

Molecular Properties

Compound Name2-[[4-(3-methoxy-3-methylbutoxy)-2-pyridinyl]oxymethyl]-3-methyl-4-phenylmethoxyquinoline
PubChem CID59526863
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC Name2-[[4-(3-methoxy-3-methylbutoxy)-2-pyridinyl]oxymethyl]-3-methyl-4-phenylmethoxyquinoline
SMILESCOC(C)(C)CCOc1ccnc(OCc2nc3ccccc3c(OCc3ccccc3)c2C)c1
InChIInChI=1S/C29H32N2O4/c1-21-26(20-34-27-18-23(14-16-30-27)33-17-15-29(2,3)32-4)31-25-13-9-8-12-24(25)28(21)35-19-22-10-6-5-7-11-22/h5-14,16,18H,15,17,19-20H2,1-4H3
InChIKeyQSWHOOWWQAJOEB-UHFFFAOYSA-N
XLogP6.29
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(3-methoxy-3-methylbutoxy)-2-pyridinyl]oxymethyl]-3-methyl-4-phenylmethoxyquinoline with MolForge

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Related Compounds

3-methyl-4-phenylmethoxy-2-(pyridin-2-yloxymethyl)quinoline
CID 59527387
2-methyl-5-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]pentan-2-ol
CID 59527442
(3-methyl-4-phenylmethoxyquinolin-2-yl)methanol
CID 68508380
1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol
CID 59527448
3-methyl-2-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-4-phenylmethoxyquinoline
CID 59526885
N-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methyl]-1-phenylmethanamine
CID 59526922
2-[(4-methylphenyl)methoxy]-4-phenylmethoxypyridine
CID 67304946
4-butoxy-3-methyl-2-[[2-(oxan-4-ylmethoxy)-4-pyridinyl]oxymethyl]quinoline
CID 70839489
3-methyl-2-[[5-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]oxymethyl]-4-phenylmethoxyquinoline
CID 59526991
2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline
CID 59527122
4-butoxy-2-[[3-methoxy-5-(3-methyl-3-nitrosobutoxy)phenoxy]methyl]-3-methylquinoline
CID 89063758
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 2-[[4-(3-methoxy-3-methylbutoxy)-2-pyridinyl]oxymethyl]-3-methyl-4-phenylmethoxyquinoline?
The IUPAC name of 2-[[4-(3-methoxy-3-methylbutoxy)-2-pyridinyl]oxymethyl]-3-methyl-4-phenylmethoxyquinoline (CID 59526863) is 2-[[4-(3-methoxy-3-methylbutoxy)-2-pyridinyl]oxymethyl]-3-methyl-4-phenylmethoxyquinoline.
What is the SMILES notation for 2-[[4-(3-methoxy-3-methylbutoxy)-2-pyridinyl]oxymethyl]-3-methyl-4-phenylmethoxyquinoline?
The canonical SMILES for 2-[[4-(3-methoxy-3-methylbutoxy)-2-pyridinyl]oxymethyl]-3-methyl-4-phenylmethoxyquinoline is COC(C)(C)CCOc1ccnc(OCc2nc3ccccc3c(OCc3ccccc3)c2C)c1.
What is the InChIKey of 2-[[4-(3-methoxy-3-methylbutoxy)-2-pyridinyl]oxymethyl]-3-methyl-4-phenylmethoxyquinoline?
The InChIKey is QSWHOOWWQAJOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-21-26(20-34-27-18-23(14-16-30-27)33-17-15-29(2,3)32-4)31-25-13-9-8-12-24(25)28(21)35-19-22-10-6-5-7-11-22/h5-14,16,18H,15,17,19-20H2,1-4H3.
What are the key properties of 2-[[4-(3-methoxy-3-methylbutoxy)-2-pyridinyl]oxymethyl]-3-methyl-4-phenylmethoxyquinoline?
2-[[4-(3-methoxy-3-methylbutoxy)-2-pyridinyl]oxymethyl]-3-methyl-4-phenylmethoxyquinoline has a molecular weight of 472.59 g/mol, XLogP of 6.29, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-methoxy-3-methylbutoxy)-2-pyridinyl]oxymethyl]-3-methyl-4-phenylmethoxyquinoline is sourced from PubChem (CID 59526863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).