1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol

C30H31NO4 — CID 59527448

IUPAC1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol
SMILESCc1c(COc2cccc(OCCC3(O)CCC3)c2)nc2ccccc2c1OCc1ccccc1
InChIInChI=1S/C30H31NO4/c1-22-28(21-34-25-12-7-11-24(19-25)33-18-17-30(32)15-8-16-30)31-27-14-6-5-13-26(27)29(22)35-20-23-9-3-2-4-10-23/h2-7,9-14,19,32H,8,15-18,20-21H2,1H3
InChIKeyNZVHYHZBOCTNKH-UHFFFAOYSA-N
MW469.58 g/mol
LogP6.39
Rot. Bonds10

About 1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol

1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol (PubChem CID 59527448) has the molecular formula C30H31NO4 and a molecular weight of 469.58 g/mol. Its IUPAC name is 1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol
PubChem CID59527448
Molecular FormulaC30H31NO4
Molecular Weight469.58 g/mol
Exact Mass469.23
IUPAC Name1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol
SMILESCc1c(COc2cccc(OCCC3(O)CCC3)c2)nc2ccccc2c1OCc1ccccc1
InChIInChI=1S/C30H31NO4/c1-22-28(21-34-25-12-7-11-24(19-25)33-18-17-30(32)15-8-16-30)31-27-14-6-5-13-26(27)29(22)35-20-23-9-3-2-4-10-23/h2-7,9-14,19,32H,8,15-18,20-21H2,1H3
InChIKeyNZVHYHZBOCTNKH-UHFFFAOYSA-N
XLogP6.39
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.58
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[4-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]piperidin-1-yl]ethanone
CID 59526930
3-methyl-2-[[5-[2-(oxan-4-yl)ethoxy]-3-pyridinyl]oxymethyl]-4-phenylmethoxyquinoline
CID 59526991
2-[[3-[4-(2-methoxyethoxy)piperidin-1-yl]phenoxy]methyl]-3-methyl-4-phenylmethoxyquinoline
CID 59527353
3-methyl-4-phenylmethoxy-2-(pyridin-2-yloxymethyl)quinoline
CID 59527387
N-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methyl]-1-phenylmethanamine
CID 59526922
2-[[4-(3-methoxy-3-methylbutoxy)-2-pyridinyl]oxymethyl]-3-methyl-4-phenylmethoxyquinoline
CID 59526863
2-(heptoxymethyl)-3-methyl-4-phenylmethoxyquinoline
CID 59527122
2-[[1-(cyclopropyloxymethyl)cyclopropyl]methoxymethyl]-3-methyl-4-phenylmethoxyquinoline
CID 59526978
3-methyl-2-[4-[(2-methylpropan-2-yl)oxy]butoxymethyl]-4-phenylmethoxyquinoline
CID 59526885
2-[[3-[2-(1-hydroxycyclopropyl)ethoxy]phenoxy]methyl]-3-methyl-1H-quinolin-4-one
CID 59527602

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol?
The IUPAC name of 1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol (CID 59527448) is 1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol?
The canonical SMILES for 1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol is Cc1c(COc2cccc(OCCC3(O)CCC3)c2)nc2ccccc2c1OCc1ccccc1.
What is the InChIKey of 1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol?
The InChIKey is NZVHYHZBOCTNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO4/c1-22-28(21-34-25-12-7-11-24(19-25)33-18-17-30(32)15-8-16-30)31-27-14-6-5-13-26(27)29(22)35-20-23-9-3-2-4-10-23/h2-7,9-14,19,32H,8,15-18,20-21H2,1H3.
What are the key properties of 1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol?
1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol has a molecular weight of 469.58 g/mol, XLogP of 6.39, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[(3-methyl-4-phenylmethoxyquinolin-2-yl)methoxy]phenoxy]ethyl]cyclobutan-1-ol is sourced from PubChem (CID 59527448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).