6-[(2Z,4Z)-2-(3-methylphenyl)hepta-2,4,6-trien-3-yl]quinoline

C23H21N — CID 144943624

IUPAC6-[(2Z,4Z)-2-(3-methylphenyl)hepta-2,4,6-trien-3-yl]quinoline
SMILESC=C/C=C\C(=C(/C)c1cccc(C)c1)c1ccc2ncccc2c1
InChIInChI=1S/C23H21N/c1-4-5-11-22(18(3)19-9-6-8-17(2)15-19)20-12-13-23-21(16-20)10-7-14-24-23/h4-16H,1H2,2-3H3/b11-5-,22-18-
InChIKeyCHRKEDRYDGZWLB-QEDWDDNOSA-N
MW311.43 g/mol
LogP6.22
Rot. Bonds4

About 6-[(2Z,4Z)-2-(3-methylphenyl)hepta-2,4,6-trien-3-yl]quinoline

6-[(2Z,4Z)-2-(3-methylphenyl)hepta-2,4,6-trien-3-yl]quinoline (PubChem CID 144943624) has the molecular formula C23H21N and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-[(2Z,4Z)-2-(3-methylphenyl)hepta-2,4,6-trien-3-yl]quinoline.

Molecular Properties

Compound Name6-[(2Z,4Z)-2-(3-methylphenyl)hepta-2,4,6-trien-3-yl]quinoline
PubChem CID144943624
Molecular FormulaC23H21N
Molecular Weight311.43 g/mol
Exact Mass311.17
IUPAC Name6-[(2Z,4Z)-2-(3-methylphenyl)hepta-2,4,6-trien-3-yl]quinoline
SMILESC=C/C=C\C(=C(/C)c1cccc(C)c1)c1ccc2ncccc2c1
InChIInChI=1S/C23H21N/c1-4-5-11-22(18(3)19-9-6-8-17(2)15-19)20-12-13-23-21(16-20)10-7-14-24-23/h4-16H,1H2,2-3H3/b11-5-,22-18-
InChIKeyCHRKEDRYDGZWLB-QEDWDDNOSA-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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

6-methylquinoline
CID 7059
6-(3-methylphenyl)quinoline
CID 4185278
(E)-but-2-enedioic acid;bis(6-methylquinoline)
CID 139196250
6-[(E)-1-fluoroprop-1-enyl]quinoline
CID 173227059
ethyl (E)-3-quinolin-6-ylbut-2-enoate
CID 18761648
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methylbenzene
CID 144614212
ethane;quinoline-6-carboxylic acid
CID 91364452
2-(3-methylanilino)-2-quinolin-6-ylethanol
CID 63970817
(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone
CID 115790583
3-(dimethylamino)-1-quinolin-6-ylprop-2-en-1-one
CID 155675024
4-methylpyridine;6-methylquinoline
CID 142243578
iodoethane;6-methylquinoline
CID 160581758

Frequently Asked Questions

What is the IUPAC name of 6-[(2Z,4Z)-2-(3-methylphenyl)hepta-2,4,6-trien-3-yl]quinoline?
The IUPAC name of 6-[(2Z,4Z)-2-(3-methylphenyl)hepta-2,4,6-trien-3-yl]quinoline (CID 144943624) is 6-[(2Z,4Z)-2-(3-methylphenyl)hepta-2,4,6-trien-3-yl]quinoline.
What is the SMILES notation for 6-[(2Z,4Z)-2-(3-methylphenyl)hepta-2,4,6-trien-3-yl]quinoline?
The canonical SMILES for 6-[(2Z,4Z)-2-(3-methylphenyl)hepta-2,4,6-trien-3-yl]quinoline is C=C/C=C\C(=C(/C)c1cccc(C)c1)c1ccc2ncccc2c1.
What is the InChIKey of 6-[(2Z,4Z)-2-(3-methylphenyl)hepta-2,4,6-trien-3-yl]quinoline?
The InChIKey is CHRKEDRYDGZWLB-QEDWDDNOSA-N. The full InChI is InChI=1S/C23H21N/c1-4-5-11-22(18(3)19-9-6-8-17(2)15-19)20-12-13-23-21(16-20)10-7-14-24-23/h4-16H,1H2,2-3H3/b11-5-,22-18-.
What are the key properties of 6-[(2Z,4Z)-2-(3-methylphenyl)hepta-2,4,6-trien-3-yl]quinoline?
6-[(2Z,4Z)-2-(3-methylphenyl)hepta-2,4,6-trien-3-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 6-[(2Z,4Z)-2-(3-methylphenyl)hepta-2,4,6-trien-3-yl]quinoline is sourced from PubChem (CID 144943624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).