N-[2,6-di(propan-2-yl)phenyl]-2-(5-methylthiophen-3-yl)quinolin-8-amine

C26H28N2S — CID 71223813

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(5-methylthiophen-3-yl)quinolin-8-amine
SMILESCc1cc(-c2ccc3cccc(Nc4c(C(C)C)cccc4C(C)C)c3n2)cs1
InChIInChI=1S/C26H28N2S/c1-16(2)21-9-7-10-22(17(3)4)26(21)28-24-11-6-8-19-12-13-23(27-25(19)24)20-14-18(5)29-15-20/h6-17,28H,1-5H3
InChIKeyJULKPQBIABSDAZ-UHFFFAOYSA-N
MW400.59 g/mol
LogP8.26
Rot. Bonds5

About N-[2,6-di(propan-2-yl)phenyl]-2-(5-methylthiophen-3-yl)quinolin-8-amine

N-[2,6-di(propan-2-yl)phenyl]-2-(5-methylthiophen-3-yl)quinolin-8-amine (PubChem CID 71223813) has the molecular formula C26H28N2S and a molecular weight of 400.59 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(5-methylthiophen-3-yl)quinolin-8-amine.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(5-methylthiophen-3-yl)quinolin-8-amine
PubChem CID71223813
Molecular FormulaC26H28N2S
Molecular Weight400.59 g/mol
Exact Mass400.20
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(5-methylthiophen-3-yl)quinolin-8-amine
SMILESCc1cc(-c2ccc3cccc(Nc4c(C(C)C)cccc4C(C)C)c3n2)cs1
InChIInChI=1S/C26H28N2S/c1-16(2)21-9-7-10-22(17(3)4)26(21)28-24-11-6-8-19-12-13-23(27-25(19)24)20-14-18(5)29-15-20/h6-17,28H,1-5H3
InChIKeyJULKPQBIABSDAZ-UHFFFAOYSA-N
XLogP8.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.59
LogP ≤ 58.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-bromo-2-(5-methylthiophen-3-yl)quinoline
CID 71223808
N-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine
CID 153406520
2-(8-anilino-5,6,7,8-tetrahydronaphthalen-1-yl)-N-[2,6-di(propan-2-yl)phenyl]quinolin-8-amine;carbanide;hafnium
CID 175364943
2,6-di(propan-2-yl)-N-[2-(quinolin-8-yliminomethyl)phenyl]aniline
CID 102529108
N-[2,6-di(propan-2-yl)phenyl]-2-[8-(2-propylanilino)-5,6,7,8-tetrahydronaphthalen-1-yl]quinolin-8-amine
CID 159879076
2-[8-(cyclohexa-1,5-dien-1-ylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-N-[2,6-di(propan-2-yl)phenyl]quinolin-8-amine
CID 153340998
2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline
CID 129025660
(2-methylquinolin-8-yl)hydrazine
CID 957615
N-(2-methylphosphanylphenyl)-2,6-di(propan-2-yl)aniline
CID 58961695
2-N-[2,6-di(propan-2-yl)phenyl]-3-N-[2,4,6-tri(propan-2-yl)phenyl]pyridine-2,3-diamine
CID 168763290
N-[2-[[4-[2-[4-[[2-[2,6-di(propan-2-yl)anilino]phenyl]methylideneamino]-3,5-dimethylphenyl]phenyl]-2,6-dimethylphenyl]iminomethyl]phenyl]-2,6-di(propan-2-yl)aniline
CID 11286257
2-N-[2,6-di(propan-2-yl)phenyl]-1-N-(2-phenylsulfanylphenyl)benzene-1,2-diamine
CID 141233352

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(5-methylthiophen-3-yl)quinolin-8-amine?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(5-methylthiophen-3-yl)quinolin-8-amine (CID 71223813) is N-[2,6-di(propan-2-yl)phenyl]-2-(5-methylthiophen-3-yl)quinolin-8-amine.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(5-methylthiophen-3-yl)quinolin-8-amine?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(5-methylthiophen-3-yl)quinolin-8-amine is Cc1cc(-c2ccc3cccc(Nc4c(C(C)C)cccc4C(C)C)c3n2)cs1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(5-methylthiophen-3-yl)quinolin-8-amine?
The InChIKey is JULKPQBIABSDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2S/c1-16(2)21-9-7-10-22(17(3)4)26(21)28-24-11-6-8-19-12-13-23(27-25(19)24)20-14-18(5)29-15-20/h6-17,28H,1-5H3.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(5-methylthiophen-3-yl)quinolin-8-amine?
N-[2,6-di(propan-2-yl)phenyl]-2-(5-methylthiophen-3-yl)quinolin-8-amine has a molecular weight of 400.59 g/mol, XLogP of 8.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(5-methylthiophen-3-yl)quinolin-8-amine is sourced from PubChem (CID 71223813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).