4-[7-(3,3,4,4-tetramethylcyclopentyl)quinolin-4-yl]oxyaniline

C24H28N2O — CID 167343301

IUPAC4-[7-(3,3,4,4-tetramethylcyclopentyl)quinolin-4-yl]oxyaniline
SMILESCC1(C)CC(c2ccc3c(Oc4ccc(N)cc4)ccnc3c2)CC1(C)C
InChIInChI=1S/C24H28N2O/c1-23(2)14-17(15-24(23,3)4)16-5-10-20-21(13-16)26-12-11-22(20)27-19-8-6-18(25)7-9-19/h5-13,17H,14-15,25H2,1-4H3
InChIKeyOALIHKXPTWGENW-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.54
Rot. Bonds3

About 4-[7-(3,3,4,4-tetramethylcyclopentyl)quinolin-4-yl]oxyaniline

4-[7-(3,3,4,4-tetramethylcyclopentyl)quinolin-4-yl]oxyaniline (PubChem CID 167343301) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-[7-(3,3,4,4-tetramethylcyclopentyl)quinolin-4-yl]oxyaniline.

Molecular Properties

Compound Name4-[7-(3,3,4,4-tetramethylcyclopentyl)quinolin-4-yl]oxyaniline
PubChem CID167343301
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name4-[7-(3,3,4,4-tetramethylcyclopentyl)quinolin-4-yl]oxyaniline
SMILESCC1(C)CC(c2ccc3c(Oc4ccc(N)cc4)ccnc3c2)CC1(C)C
InChIInChI=1S/C24H28N2O/c1-23(2)14-17(15-24(23,3)4)16-5-10-20-21(13-16)26-12-11-22(20)27-19-8-6-18(25)7-9-19/h5-13,17H,14-15,25H2,1-4H3
InChIKeyOALIHKXPTWGENW-UHFFFAOYSA-N
XLogP6.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline
CID 160640233
2-[4-[7-(6-methyl-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343274
2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343268
4-(3,5-difluorophenoxy)quinolin-7-amine
CID 103002316
4-(4-aminophenoxy)-7-methylquinoline-6-carbonitrile
CID 89363462
4-(6,8-dimethylquinolin-4-yl)oxyaniline
CID 54773300
4-[(6-chloro-1,7-naphthyridin-4-yl)oxy]aniline
CID 156871767
2-[4-[7-(5-fluoro-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343307
3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline
CID 90017152
2-[4-[7-(2-hydroxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791988

Frequently Asked Questions

What is the IUPAC name of 4-[7-(3,3,4,4-tetramethylcyclopentyl)quinolin-4-yl]oxyaniline?
The IUPAC name of 4-[7-(3,3,4,4-tetramethylcyclopentyl)quinolin-4-yl]oxyaniline (CID 167343301) is 4-[7-(3,3,4,4-tetramethylcyclopentyl)quinolin-4-yl]oxyaniline.
What is the SMILES notation for 4-[7-(3,3,4,4-tetramethylcyclopentyl)quinolin-4-yl]oxyaniline?
The canonical SMILES for 4-[7-(3,3,4,4-tetramethylcyclopentyl)quinolin-4-yl]oxyaniline is CC1(C)CC(c2ccc3c(Oc4ccc(N)cc4)ccnc3c2)CC1(C)C.
What is the InChIKey of 4-[7-(3,3,4,4-tetramethylcyclopentyl)quinolin-4-yl]oxyaniline?
The InChIKey is OALIHKXPTWGENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-23(2)14-17(15-24(23,3)4)16-5-10-20-21(13-16)26-12-11-22(20)27-19-8-6-18(25)7-9-19/h5-13,17H,14-15,25H2,1-4H3.
What are the key properties of 4-[7-(3,3,4,4-tetramethylcyclopentyl)quinolin-4-yl]oxyaniline?
4-[7-(3,3,4,4-tetramethylcyclopentyl)quinolin-4-yl]oxyaniline has a molecular weight of 360.50 g/mol, XLogP of 6.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3,3,4,4-tetramethylcyclopentyl)quinolin-4-yl]oxyaniline is sourced from PubChem (CID 167343301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).