2-[N-[2,6-di(propan-2-yl)phenyl]-C-ethylcarbonimidoyl]quinolin-8-ol

C24H28N2O — CID 136749054

IUPAC2-[N-[2,6-di(propan-2-yl)phenyl]-C-ethylcarbonimidoyl]quinolin-8-ol
SMILESCC/C(=N\c1c(C(C)C)cccc1C(C)C)c1ccc2cccc(O)c2n1
InChIInChI=1S/C24H28N2O/c1-6-20(21-14-13-17-9-7-12-22(27)23(17)26-21)25-24-18(15(2)3)10-8-11-19(24)16(4)5/h7-16,27H,6H2,1-5H3/b25-20+
InChIKeyYZJZZJCJACWDPB-LKUDQCMESA-N
MW360.50 g/mol
LogP6.72
Rot. Bonds5

About 2-[N-[2,6-di(propan-2-yl)phenyl]-C-ethylcarbonimidoyl]quinolin-8-ol

2-[N-[2,6-di(propan-2-yl)phenyl]-C-ethylcarbonimidoyl]quinolin-8-ol (PubChem CID 136749054) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[N-[2,6-di(propan-2-yl)phenyl]-C-ethylcarbonimidoyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[N-[2,6-di(propan-2-yl)phenyl]-C-ethylcarbonimidoyl]quinolin-8-ol
PubChem CID136749054
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name2-[N-[2,6-di(propan-2-yl)phenyl]-C-ethylcarbonimidoyl]quinolin-8-ol
SMILESCC/C(=N\c1c(C(C)C)cccc1C(C)C)c1ccc2cccc(O)c2n1
InChIInChI=1S/C24H28N2O/c1-6-20(21-14-13-17-9-7-12-22(27)23(17)26-21)25-24-18(15(2)3)10-8-11-19(24)16(4)5/h7-16,27H,6H2,1-5H3/b25-20+
InChIKeyYZJZZJCJACWDPB-LKUDQCMESA-N
XLogP6.72
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[2,6-di(propan-2-yl)phenyl]-1,4-bis[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]butane-1,4-diimine
CID 139120109
N-[2,6-di(propan-2-yl)phenyl]-1-(1,10-phenanthrolin-2-yl)-1-phenylmethanimine
CID 11984252
3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine
CID 126613596
2-propan-2-ylquinolin-8-ol
CID 4218732
1-(8-hydroxyquinolin-2-yl)ethanone
CID 19067452
benzene;bis(N-[2,6-di(propan-2-yl)phenyl]-1-[7-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1,8-naphthyridin-2-yl]ethanimine);nickel;dibromide
CID 139142390
8-propan-2-ylnaphthalen-1-ol
CID 10465049
azane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron
CID 16726514
8-hydroxy-N-octadecylquinoline-2-carboxamide
CID 101042875
ethane;bis(2-methylquinolin-8-ol);propane;hydrate
CID 143591758
copper;bis(8-hydroxyquinoline-2-carboxylic acid)
CID 172842653
CID 10695390
CID 10695390

Frequently Asked Questions

What is the IUPAC name of 2-[N-[2,6-di(propan-2-yl)phenyl]-C-ethylcarbonimidoyl]quinolin-8-ol?
The IUPAC name of 2-[N-[2,6-di(propan-2-yl)phenyl]-C-ethylcarbonimidoyl]quinolin-8-ol (CID 136749054) is 2-[N-[2,6-di(propan-2-yl)phenyl]-C-ethylcarbonimidoyl]quinolin-8-ol.
What is the SMILES notation for 2-[N-[2,6-di(propan-2-yl)phenyl]-C-ethylcarbonimidoyl]quinolin-8-ol?
The canonical SMILES for 2-[N-[2,6-di(propan-2-yl)phenyl]-C-ethylcarbonimidoyl]quinolin-8-ol is CC/C(=N\c1c(C(C)C)cccc1C(C)C)c1ccc2cccc(O)c2n1.
What is the InChIKey of 2-[N-[2,6-di(propan-2-yl)phenyl]-C-ethylcarbonimidoyl]quinolin-8-ol?
The InChIKey is YZJZZJCJACWDPB-LKUDQCMESA-N. The full InChI is InChI=1S/C24H28N2O/c1-6-20(21-14-13-17-9-7-12-22(27)23(17)26-21)25-24-18(15(2)3)10-8-11-19(24)16(4)5/h7-16,27H,6H2,1-5H3/b25-20+.
What are the key properties of 2-[N-[2,6-di(propan-2-yl)phenyl]-C-ethylcarbonimidoyl]quinolin-8-ol?
2-[N-[2,6-di(propan-2-yl)phenyl]-C-ethylcarbonimidoyl]quinolin-8-ol has a molecular weight of 360.50 g/mol, XLogP of 6.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[2,6-di(propan-2-yl)phenyl]-C-ethylcarbonimidoyl]quinolin-8-ol is sourced from PubChem (CID 136749054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).