4-[(2E,4E)-5-(4-methylphenyl)hepta-2,4,6-trien-2-yl]quinoline

C23H21N — CID 156519406

IUPAC4-[(2E,4E)-5-(4-methylphenyl)hepta-2,4,6-trien-2-yl]quinoline
SMILESC=C/C(=C\C=C(/C)c1ccnc2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C23H21N/c1-4-19(20-12-9-17(2)10-13-20)14-11-18(3)21-15-16-24-23-8-6-5-7-22(21)23/h4-16H,1H2,2-3H3/b18-11+,19-14+
InChIKeySZDMFMWFKQWIAM-MMOYSQFZSA-N
MW311.43 g/mol
LogP6.22
Rot. Bonds4

About 4-[(2E,4E)-5-(4-methylphenyl)hepta-2,4,6-trien-2-yl]quinoline

4-[(2E,4E)-5-(4-methylphenyl)hepta-2,4,6-trien-2-yl]quinoline (PubChem CID 156519406) has the molecular formula C23H21N and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[(2E,4E)-5-(4-methylphenyl)hepta-2,4,6-trien-2-yl]quinoline.

Molecular Properties

Compound Name4-[(2E,4E)-5-(4-methylphenyl)hepta-2,4,6-trien-2-yl]quinoline
PubChem CID156519406
Molecular FormulaC23H21N
Molecular Weight311.43 g/mol
Exact Mass311.17
IUPAC Name4-[(2E,4E)-5-(4-methylphenyl)hepta-2,4,6-trien-2-yl]quinoline
SMILESC=C/C(=C\C=C(/C)c1ccnc2ccccc12)c1ccc(C)cc1
InChIInChI=1S/C23H21N/c1-4-19(20-12-9-17(2)10-13-20)14-11-18(3)21-15-16-24-23-8-6-5-7-22(21)23/h4-16H,1H2,2-3H3/b18-11+,19-14+
InChIKeySZDMFMWFKQWIAM-MMOYSQFZSA-N
XLogP6.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2E,4E)-5-(4-methylphenyl)hepta-2,4,6-trien-2-yl]azulene
CID 174116925
(2,4-dimethylphenyl)-quinolin-4-ylmethanone
CID 86811186
2-[(3E,5E)-6-(1-benzothiophen-3-yl)hepta-1,3,5-trien-3-yl]-5-methylpyrimidine
CID 156519407
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methylbenzene
CID 142152757
[4-[(1E,3E)-1-ethenyl-4-(4-phosphanylphenyl)penta-1,3-dienyl]phenyl]phosphane
CID 138565562
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
butane;1-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylbenzene;1-methyl-4-phenylbenzene
CID 143258113
4-[2-(4-methylphenyl)ethynyl]quinoline
CID 11356949
2-quinolin-4-ylprop-2-enenitrile
CID 143863214
2,2-dimethyl-1-quinolin-4-ylpropan-1-one
CID 12913278
(4-iodophenyl)-quinolin-4-ylmethanone
CID 86811146
2-methyl-5-[(2E,4E)-5-naphthalen-1-ylhexa-2,4-dien-2-yl]pyridine
CID 170229762

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4E)-5-(4-methylphenyl)hepta-2,4,6-trien-2-yl]quinoline?
The IUPAC name of 4-[(2E,4E)-5-(4-methylphenyl)hepta-2,4,6-trien-2-yl]quinoline (CID 156519406) is 4-[(2E,4E)-5-(4-methylphenyl)hepta-2,4,6-trien-2-yl]quinoline.
What is the SMILES notation for 4-[(2E,4E)-5-(4-methylphenyl)hepta-2,4,6-trien-2-yl]quinoline?
The canonical SMILES for 4-[(2E,4E)-5-(4-methylphenyl)hepta-2,4,6-trien-2-yl]quinoline is C=C/C(=C\C=C(/C)c1ccnc2ccccc12)c1ccc(C)cc1.
What is the InChIKey of 4-[(2E,4E)-5-(4-methylphenyl)hepta-2,4,6-trien-2-yl]quinoline?
The InChIKey is SZDMFMWFKQWIAM-MMOYSQFZSA-N. The full InChI is InChI=1S/C23H21N/c1-4-19(20-12-9-17(2)10-13-20)14-11-18(3)21-15-16-24-23-8-6-5-7-22(21)23/h4-16H,1H2,2-3H3/b18-11+,19-14+.
What are the key properties of 4-[(2E,4E)-5-(4-methylphenyl)hepta-2,4,6-trien-2-yl]quinoline?
4-[(2E,4E)-5-(4-methylphenyl)hepta-2,4,6-trien-2-yl]quinoline has a molecular weight of 311.43 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4E)-5-(4-methylphenyl)hepta-2,4,6-trien-2-yl]quinoline is sourced from PubChem (CID 156519406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).