8-methyl-5-[(2E)-4-phenylpenta-2,4-dien-2-yl]-7-[(Z)-prop-1-enyl]quinoline

C24H23N — CID 144969438

IUPAC8-methyl-5-[(2E)-4-phenylpenta-2,4-dien-2-yl]-7-[(Z)-prop-1-enyl]quinoline
SMILESC=C(/C=C(\C)c1cc(/C=C\C)c(C)c2ncccc12)c1ccccc1
InChIInChI=1S/C24H23N/c1-5-10-21-16-23(22-13-9-14-25-24(22)19(21)4)18(3)15-17(2)20-11-7-6-8-12-20/h5-16H,2H2,1,3-4H3/b10-5-,18-15+
InChIKeyYYEOLVUHBPNQOJ-JJDRHRIQSA-N
MW325.46 g/mol
LogP6.69
Rot. Bonds4

About 8-methyl-5-[(2E)-4-phenylpenta-2,4-dien-2-yl]-7-[(Z)-prop-1-enyl]quinoline

8-methyl-5-[(2E)-4-phenylpenta-2,4-dien-2-yl]-7-[(Z)-prop-1-enyl]quinoline (PubChem CID 144969438) has the molecular formula C24H23N and a molecular weight of 325.46 g/mol. Its IUPAC name is 8-methyl-5-[(2E)-4-phenylpenta-2,4-dien-2-yl]-7-[(Z)-prop-1-enyl]quinoline.

Molecular Properties

Compound Name8-methyl-5-[(2E)-4-phenylpenta-2,4-dien-2-yl]-7-[(Z)-prop-1-enyl]quinoline
PubChem CID144969438
Molecular FormulaC24H23N
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC Name8-methyl-5-[(2E)-4-phenylpenta-2,4-dien-2-yl]-7-[(Z)-prop-1-enyl]quinoline
SMILESC=C(/C=C(\C)c1cc(/C=C\C)c(C)c2ncccc12)c1ccccc1
InChIInChI=1S/C24H23N/c1-5-10-21-16-23(22-13-9-14-25-24(22)19(21)4)18(3)15-17(2)20-11-7-6-8-12-20/h5-16H,2H2,1,3-4H3/b10-5-,18-15+
InChIKeyYYEOLVUHBPNQOJ-JJDRHRIQSA-N
XLogP6.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 56.69
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

2-[(1E)-1-(8-methyl-4-prop-1-en-2-ylquinolin-7-yl)-3-phenylbuta-1,3-dienyl]quinazoline
CID 144839302
2-[(3E,5Z)-2-phenylhepta-1,3,5-trien-4-yl]pyridine
CID 139420658
2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 144743897
2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline
CID 11425448
5,6-dimethyl-1,7-phenanthroline
CID 67494959
7-[(E)-prop-1-enyl]quinolin-8-ol
CID 6312120
2-methyl-4-prop-1-enylquinoline
CID 73094462
5-prop-1-en-2-ylquinolin-8-ol
CID 142945395
8-methyl-7-[(Z)-3-(3-prop-1-en-2-ylphenyl)but-1-enyl]quinoline
CID 137484546
8-[(Z)-prop-1-enyl]benzo[f][1,7]naphthyridin-5-amine
CID 66892362
ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene
CID 145063911
2-[(3Z,5E)-4-methyl-6-phenylhepta-1,3,5-trien-2-yl]pyridine
CID 142986451

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-[(2E)-4-phenylpenta-2,4-dien-2-yl]-7-[(Z)-prop-1-enyl]quinoline?
The IUPAC name of 8-methyl-5-[(2E)-4-phenylpenta-2,4-dien-2-yl]-7-[(Z)-prop-1-enyl]quinoline (CID 144969438) is 8-methyl-5-[(2E)-4-phenylpenta-2,4-dien-2-yl]-7-[(Z)-prop-1-enyl]quinoline.
What is the SMILES notation for 8-methyl-5-[(2E)-4-phenylpenta-2,4-dien-2-yl]-7-[(Z)-prop-1-enyl]quinoline?
The canonical SMILES for 8-methyl-5-[(2E)-4-phenylpenta-2,4-dien-2-yl]-7-[(Z)-prop-1-enyl]quinoline is C=C(/C=C(\C)c1cc(/C=C\C)c(C)c2ncccc12)c1ccccc1.
What is the InChIKey of 8-methyl-5-[(2E)-4-phenylpenta-2,4-dien-2-yl]-7-[(Z)-prop-1-enyl]quinoline?
The InChIKey is YYEOLVUHBPNQOJ-JJDRHRIQSA-N. The full InChI is InChI=1S/C24H23N/c1-5-10-21-16-23(22-13-9-14-25-24(22)19(21)4)18(3)15-17(2)20-11-7-6-8-12-20/h5-16H,2H2,1,3-4H3/b10-5-,18-15+.
What are the key properties of 8-methyl-5-[(2E)-4-phenylpenta-2,4-dien-2-yl]-7-[(Z)-prop-1-enyl]quinoline?
8-methyl-5-[(2E)-4-phenylpenta-2,4-dien-2-yl]-7-[(Z)-prop-1-enyl]quinoline has a molecular weight of 325.46 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-[(2E)-4-phenylpenta-2,4-dien-2-yl]-7-[(Z)-prop-1-enyl]quinoline is sourced from PubChem (CID 144969438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).