2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one

C30H33NO2 — CID 145465198

IUPAC2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one
SMILESC=C(C)c1cc(-c2ccc(-c3ccc(CC)cc3)cc2)nc2ccccc12.CC(C)=O.CO
InChIInChI=1S/C26H23N.C3H6O.CH4O/c1-4-19-9-11-20(12-10-19)21-13-15-22(16-14-21)26-17-24(18(2)3)23-7-5-6-8-25(23)27-26;1-3(2)4;1-2/h5-17H,2,4H2,1,3H3;1-2H3;2H,1H3
InChIKeyNGNLKWCZFOYHJT-UHFFFAOYSA-N
MW439.60 g/mol
LogP7.37
Rot. Bonds4

About 2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one

2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one (PubChem CID 145465198) has the molecular formula C30H33NO2 and a molecular weight of 439.60 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one
PubChem CID145465198
Molecular FormulaC30H33NO2
Molecular Weight439.60 g/mol
Exact Mass439.25
IUPAC Name2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one
SMILESC=C(C)c1cc(-c2ccc(-c3ccc(CC)cc3)cc2)nc2ccccc12.CC(C)=O.CO
InChIInChI=1S/C26H23N.C3H6O.CH4O/c1-4-19-9-11-20(12-10-19)21-13-15-22(16-14-21)26-17-24(18(2)3)23-7-5-6-8-25(23)27-26;1-3(2)4;1-2/h5-17H,2,4H2,1,3H3;1-2H3;2H,1H3
InChIKeyNGNLKWCZFOYHJT-UHFFFAOYSA-N
XLogP7.37
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-prop-1-en-2-ylquinoline
CID 44720344
2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3558127
(3,4-dichlorophenyl)methyl 2-(4-ethylphenyl)quinoline-4-carboxylate
CID 126188190
2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3948184
methyl 2-(4-propylphenyl)quinoline-4-carboxylate
CID 841962
2-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylquinoline-4-carboxamide
CID 7535435
N-(2,3-dimethylphenyl)-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 5141329
N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 3471977
[2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3353845
2-(4-ethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 4095752
2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxylic acid
CID 2759386
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one?
The IUPAC name of 2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one (CID 145465198) is 2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one.
What is the SMILES notation for 2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one?
The canonical SMILES for 2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one is C=C(C)c1cc(-c2ccc(-c3ccc(CC)cc3)cc2)nc2ccccc12.CC(C)=O.CO.
What is the InChIKey of 2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one?
The InChIKey is NGNLKWCZFOYHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N.C3H6O.CH4O/c1-4-19-9-11-20(12-10-19)21-13-15-22(16-14-21)26-17-24(18(2)3)23-7-5-6-8-25(23)27-26;1-3(2)4;1-2/h5-17H,2,4H2,1,3H3;1-2H3;2H,1H3.
What are the key properties of 2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one?
2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one has a molecular weight of 439.60 g/mol, XLogP of 7.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)phenyl]-4-prop-1-en-2-ylquinoline;methanol;propan-2-one is sourced from PubChem (CID 145465198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).