N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylmethanimine

C20H20N2 — CID 20706875

IUPACN-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylmethanimine
SMILESCc1cccc(C(C)C)c1/N=C/c1ccc2ccccc2n1
InChIInChI=1S/C20H20N2/c1-14(2)18-9-6-7-15(3)20(18)21-13-17-12-11-16-8-4-5-10-19(16)22-17/h4-14H,1-3H3/b21-13+
InChIKeyKEPILFHZEWPCTA-FYJGNVAPSA-N
MW288.39 g/mol
LogP5.42
Rot. Bonds3

About N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylmethanimine

N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylmethanimine (PubChem CID 20706875) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylmethanimine.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylmethanimine
PubChem CID20706875
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylmethanimine
SMILESCc1cccc(C(C)C)c1/N=C/c1ccc2ccccc2n1
InChIInChI=1S/C20H20N2/c1-14(2)18-9-6-7-15(3)20(18)21-13-17-12-11-16-8-4-5-10-19(16)22-17/h4-14H,1-3H3/b21-13+
InChIKeyKEPILFHZEWPCTA-FYJGNVAPSA-N
XLogP5.42
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-3-[(E)-quinolin-2-ylmethylideneamino]thiourea
CID 46202218
N-phenyl-1-quinolin-2-ylmethanimine
CID 13120185
N-[[1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]naphthalen-2-yl]methyl]-2-methylaniline
CID 66799583
N-[2,6-di(propan-2-yl)phenyl]-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-4-methyl-2-pyridinyl]methanimine;neodymium(3+);trichloride
CID 173243069
(Z)-1-quinolin-2-yl-N-[(Z)-quinolin-2-ylmethylideneamino]methanimine
CID 6299697
N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine
CID 12070562
N-[2,6-di(propan-2-yl)phenyl]-1-(2-methyl-1,3-thiazol-4-yl)methanimine
CID 58933058
tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc
CID 139116950
N-[2,6-di(propan-2-yl)phenyl]-1-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methanimine
CID 101384973
N-anthracen-1-yl-1-quinolin-2-ylmethanimine
CID 134814032
carbanide;N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine;iron(2+)
CID 147504192
dichlorocobalt;N-[2,6-di(propan-2-yl)phenyl]-1-(6-phenyl-2-pyridinyl)methanimine
CID 59444818

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylmethanimine?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylmethanimine (CID 20706875) is N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylmethanimine.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylmethanimine?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylmethanimine is Cc1cccc(C(C)C)c1/N=C/c1ccc2ccccc2n1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylmethanimine?
The InChIKey is KEPILFHZEWPCTA-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H20N2/c1-14(2)18-9-6-7-15(3)20(18)21-13-17-12-11-16-8-4-5-10-19(16)22-17/h4-14H,1-3H3/b21-13+.
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylmethanimine?
N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylmethanimine has a molecular weight of 288.39 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylmethanimine is sourced from PubChem (CID 20706875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).