heptane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylquinoline

C24H33N — CID 142151113

IUPACheptane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylquinoline
SMILESC=C(/C=C\C=C/C)c1cc(C)c2ccccc2n1.CCCCCCC
InChIInChI=1S/C17H17N.C7H16/c1-4-5-6-9-13(2)17-12-14(3)15-10-7-8-11-16(15)18-17;1-3-5-7-6-4-2/h4-12H,2H2,1,3H3;3-7H2,1-2H3/b5-4-,9-6-;
InChIKeyGDVYWCFWQIGYAF-HRELPHSOSA-N
MW335.54 g/mol
LogP7.67
Rot. Bonds7

About heptane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylquinoline

heptane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylquinoline (PubChem CID 142151113) has the molecular formula C24H33N and a molecular weight of 335.54 g/mol. Its IUPAC name is heptane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylquinoline.

Molecular Properties

Compound Nameheptane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylquinoline
PubChem CID142151113
Molecular FormulaC24H33N
Molecular Weight335.54 g/mol
Exact Mass335.26
IUPAC Nameheptane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylquinoline
SMILESC=C(/C=C\C=C/C)c1cc(C)c2ccccc2n1.CCCCCCC
InChIInChI=1S/C17H17N.C7H16/c1-4-5-6-9-13(2)17-12-14(3)15-10-7-8-11-16(15)18-17;1-3-5-7-6-4-2/h4-12H,2H2,1,3H3;3-7H2,1-2H3/b5-4-,9-6-;
InChIKeyGDVYWCFWQIGYAF-HRELPHSOSA-N
XLogP7.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of heptane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylquinoline?
The IUPAC name of heptane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylquinoline (CID 142151113) is heptane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylquinoline.
What is the SMILES notation for heptane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylquinoline?
The canonical SMILES for heptane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylquinoline is C=C(/C=C\C=C/C)c1cc(C)c2ccccc2n1.CCCCCCC.
What is the InChIKey of heptane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylquinoline?
The InChIKey is GDVYWCFWQIGYAF-HRELPHSOSA-N. The full InChI is InChI=1S/C17H17N.C7H16/c1-4-5-6-9-13(2)17-12-14(3)15-10-7-8-11-16(15)18-17;1-3-5-7-6-4-2/h4-12H,2H2,1,3H3;3-7H2,1-2H3/b5-4-,9-6-;.
What are the key properties of heptane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylquinoline?
heptane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylquinoline has a molecular weight of 335.54 g/mol, XLogP of 7.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptane;2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylquinoline is sourced from PubChem (CID 142151113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).