N-[2-methyl-4-phenyl-7-(1-phenylethyl)quinolin-8-yl]propan-2-imine

C27H26N2 — CID 155148831

IUPACN-[2-methyl-4-phenyl-7-(1-phenylethyl)quinolin-8-yl]propan-2-imine
SMILESCC(C)=Nc1c(C(C)c2ccccc2)ccc2c(-c3ccccc3)cc(C)nc12
InChIInChI=1S/C27H26N2/c1-18(2)28-26-23(20(4)21-11-7-5-8-12-21)15-16-24-25(17-19(3)29-27(24)26)22-13-9-6-10-14-22/h5-17,20H,1-4H3
InChIKeyCQUZIPAMNBZFMY-UHFFFAOYSA-N
MW378.52 g/mol
LogP7.47
Rot. Bonds4

About N-[2-methyl-4-phenyl-7-(1-phenylethyl)quinolin-8-yl]propan-2-imine

N-[2-methyl-4-phenyl-7-(1-phenylethyl)quinolin-8-yl]propan-2-imine (PubChem CID 155148831) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[2-methyl-4-phenyl-7-(1-phenylethyl)quinolin-8-yl]propan-2-imine.

Molecular Properties

Compound NameN-[2-methyl-4-phenyl-7-(1-phenylethyl)quinolin-8-yl]propan-2-imine
PubChem CID155148831
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC NameN-[2-methyl-4-phenyl-7-(1-phenylethyl)quinolin-8-yl]propan-2-imine
SMILESCC(C)=Nc1c(C(C)c2ccccc2)ccc2c(-c3ccccc3)cc(C)nc12
InChIInChI=1S/C27H26N2/c1-18(2)28-26-23(20(4)21-11-7-5-8-12-21)15-16-24-25(17-19(3)29-27(24)26)22-13-9-6-10-14-22/h5-17,20H,1-4H3
InChIKeyCQUZIPAMNBZFMY-UHFFFAOYSA-N
XLogP7.47
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-phenyl-7-(1-phenylethyl)quinolin-8-yl]propan-2-imine?
The IUPAC name of N-[2-methyl-4-phenyl-7-(1-phenylethyl)quinolin-8-yl]propan-2-imine (CID 155148831) is N-[2-methyl-4-phenyl-7-(1-phenylethyl)quinolin-8-yl]propan-2-imine.
What is the SMILES notation for N-[2-methyl-4-phenyl-7-(1-phenylethyl)quinolin-8-yl]propan-2-imine?
The canonical SMILES for N-[2-methyl-4-phenyl-7-(1-phenylethyl)quinolin-8-yl]propan-2-imine is CC(C)=Nc1c(C(C)c2ccccc2)ccc2c(-c3ccccc3)cc(C)nc12.
What is the InChIKey of N-[2-methyl-4-phenyl-7-(1-phenylethyl)quinolin-8-yl]propan-2-imine?
The InChIKey is CQUZIPAMNBZFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2/c1-18(2)28-26-23(20(4)21-11-7-5-8-12-21)15-16-24-25(17-19(3)29-27(24)26)22-13-9-6-10-14-22/h5-17,20H,1-4H3.
What are the key properties of N-[2-methyl-4-phenyl-7-(1-phenylethyl)quinolin-8-yl]propan-2-imine?
N-[2-methyl-4-phenyl-7-(1-phenylethyl)quinolin-8-yl]propan-2-imine has a molecular weight of 378.52 g/mol, XLogP of 7.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-phenyl-7-(1-phenylethyl)quinolin-8-yl]propan-2-imine is sourced from PubChem (CID 155148831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).