N-[1-(4-methylphenyl)propylidene]-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide

C29H28N2O2 — CID 17373953

IUPACN-[1-(4-methylphenyl)propylidene]-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
SMILESCC/C(=N\C(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C29H28N2O2/c1-5-26(21-12-10-20(4)11-13-21)31-29(32)25-18-28(30-27-9-7-6-8-24(25)27)22-14-16-23(17-15-22)33-19(2)3/h6-19H,5H2,1-4H3/b31-26+
InChIKeyJXILXTONSVRLIQ-GKPLWNPISA-N
MW436.56 g/mol
LogP7.04
Rot. Bonds6

About N-[1-(4-methylphenyl)propylidene]-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide

N-[1-(4-methylphenyl)propylidene]-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide (PubChem CID 17373953) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propylidene]-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propylidene]-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
PubChem CID17373953
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC NameN-[1-(4-methylphenyl)propylidene]-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
SMILESCC/C(=N\C(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C29H28N2O2/c1-5-26(21-12-10-20(4)11-13-21)31-29(32)25-18-28(30-27-9-7-6-8-24(25)27)22-14-16-23(17-15-22)33-19(2)3/h6-19H,5H2,1-4H3/b31-26+
InChIKeyJXILXTONSVRLIQ-GKPLWNPISA-N
XLogP7.04
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 6166144
2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 126042516
(4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate
CID 1128701
methyl 5-methyl-2-[[2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
CID 4144337
2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid
CID 3796863
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798269
4-(4-methyl-6-propan-2-yloxyquinolin-2-yl)benzamide
CID 171385894
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 5076248
[(2R)-1-oxo-1-phenylpropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 1217833
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide
CID 3442010
[2-(4-acetyloxyphenyl)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 126190703
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propylidene]-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)propylidene]-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide (CID 17373953) is N-[1-(4-methylphenyl)propylidene]-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propylidene]-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)propylidene]-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide is CC/C(=N\C(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccccc12)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propylidene]-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The InChIKey is JXILXTONSVRLIQ-GKPLWNPISA-N. The full InChI is InChI=1S/C29H28N2O2/c1-5-26(21-12-10-20(4)11-13-21)31-29(32)25-18-28(30-27-9-7-6-8-24(25)27)22-14-16-23(17-15-22)33-19(2)3/h6-19H,5H2,1-4H3/b31-26+.
What are the key properties of N-[1-(4-methylphenyl)propylidene]-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide?
N-[1-(4-methylphenyl)propylidene]-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 7.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propylidene]-2-(4-propan-2-yloxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 17373953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).