8-methyl-5-(7-phenylhept-1-ynyl)quinoline

C23H23N — CID 123763998

IUPAC8-methyl-5-(7-phenylhept-1-ynyl)quinoline
SMILESCc1ccc(C#CCCCCCc2ccccc2)c2cccnc12
InChIInChI=1S/C23H23N/c1-19-16-17-21(22-15-10-18-24-23(19)22)14-9-4-2-3-6-11-20-12-7-5-8-13-20/h5,7-8,10,12-13,15-18H,2-4,6,11H2,1H3
InChIKeyDHSURYIJZRMYBP-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.70
Rot. Bonds5

About 8-methyl-5-(7-phenylhept-1-ynyl)quinoline

8-methyl-5-(7-phenylhept-1-ynyl)quinoline (PubChem CID 123763998) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 8-methyl-5-(7-phenylhept-1-ynyl)quinoline.

Molecular Properties

Compound Name8-methyl-5-(7-phenylhept-1-ynyl)quinoline
PubChem CID123763998
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name8-methyl-5-(7-phenylhept-1-ynyl)quinoline
SMILESCc1ccc(C#CCCCCCc2ccccc2)c2cccnc12
InChIInChI=1S/C23H23N/c1-19-16-17-21(22-15-10-18-24-23(19)22)14-9-4-2-3-6-11-20-12-7-5-8-13-20/h5,7-8,10,12-13,15-18H,2-4,6,11H2,1H3
InChIKeyDHSURYIJZRMYBP-UHFFFAOYSA-N
XLogP5.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-4-(6-phenylhexyl)benzene
CID 123294821
3-methyl-1-(3-phenylpropyl)pyrrolo[2,3-b]pyridine
CID 70903217
heptacosa-13,15-diynylbenzene
CID 175048871
N-[[5-(6-phenylhexyl)quinolin-8-yl]methyl]ethanamine
CID 70872860
[3-fluoro-4-(6-phenylhex-1-ynyl)phenyl]methanol
CID 90388773
dec-3-ynylbenzene
CID 13130420
tetradeca-6,9,12-triynylbenzene
CID 54262000
8-N-(3-phenylpropyl)quinoline-5,8-diamine
CID 60904771
1-ethynyl-2-(4-phenylbut-1-ynyl)benzene
CID 71600475
ethyl 3-chloro-4-(6-phenylhex-1-ynyl)benzoate
CID 90388822
2-(7-phenylheptyl)pyridine
CID 54510986
N-methyl-4-(8-methylquinolin-7-yl)but-3-yn-1-amine
CID 170465060

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-(7-phenylhept-1-ynyl)quinoline?
The IUPAC name of 8-methyl-5-(7-phenylhept-1-ynyl)quinoline (CID 123763998) is 8-methyl-5-(7-phenylhept-1-ynyl)quinoline.
What is the SMILES notation for 8-methyl-5-(7-phenylhept-1-ynyl)quinoline?
The canonical SMILES for 8-methyl-5-(7-phenylhept-1-ynyl)quinoline is Cc1ccc(C#CCCCCCc2ccccc2)c2cccnc12.
What is the InChIKey of 8-methyl-5-(7-phenylhept-1-ynyl)quinoline?
The InChIKey is DHSURYIJZRMYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N/c1-19-16-17-21(22-15-10-18-24-23(19)22)14-9-4-2-3-6-11-20-12-7-5-8-13-20/h5,7-8,10,12-13,15-18H,2-4,6,11H2,1H3.
What are the key properties of 8-methyl-5-(7-phenylhept-1-ynyl)quinoline?
8-methyl-5-(7-phenylhept-1-ynyl)quinoline has a molecular weight of 313.44 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-(7-phenylhept-1-ynyl)quinoline is sourced from PubChem (CID 123763998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).