8-ethenyl-2-[(3E)-penta-1,3-dien-3-yl]-4-phenyl-7-[(Z)-prop-1-enyl]quinazoline

C24H22N2 — CID 144968893

IUPAC8-ethenyl-2-[(3E)-penta-1,3-dien-3-yl]-4-phenyl-7-[(Z)-prop-1-enyl]quinazoline
SMILESC=C/C(=C\C)c1nc(-c2ccccc2)c2ccc(/C=C\C)c(C=C)c2n1
InChIInChI=1S/C24H22N2/c1-5-12-18-15-16-21-22(19-13-10-9-11-14-19)25-24(17(6-2)7-3)26-23(21)20(18)8-4/h5-16H,2,4H2,1,3H3/b12-5-,17-7+
InChIKeyDPMCINHCQXPAOU-JUXYOQQVSA-N
MW338.45 g/mol
LogP6.56
Rot. Bonds5

About 8-ethenyl-2-[(3E)-penta-1,3-dien-3-yl]-4-phenyl-7-[(Z)-prop-1-enyl]quinazoline

8-ethenyl-2-[(3E)-penta-1,3-dien-3-yl]-4-phenyl-7-[(Z)-prop-1-enyl]quinazoline (PubChem CID 144968893) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 8-ethenyl-2-[(3E)-penta-1,3-dien-3-yl]-4-phenyl-7-[(Z)-prop-1-enyl]quinazoline.

Molecular Properties

Compound Name8-ethenyl-2-[(3E)-penta-1,3-dien-3-yl]-4-phenyl-7-[(Z)-prop-1-enyl]quinazoline
PubChem CID144968893
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name8-ethenyl-2-[(3E)-penta-1,3-dien-3-yl]-4-phenyl-7-[(Z)-prop-1-enyl]quinazoline
SMILESC=C/C(=C\C)c1nc(-c2ccccc2)c2ccc(/C=C\C)c(C=C)c2n1
InChIInChI=1S/C24H22N2/c1-5-12-18-15-16-21-22(19-13-10-9-11-14-19)25-24(17(6-2)7-3)26-23(21)20(18)8-4/h5-16H,2,4H2,1,3H3/b12-5-,17-7+
InChIKeyDPMCINHCQXPAOU-JUXYOQQVSA-N
XLogP6.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-phenylpyrimidine
CID 130452753
1,1'-biphenyl;12-ethenyl-5-[(E)-prop-1-enyl]benzo[10]annulene
CID 143613386
7-ethyl-4-methyl-2-phenyl-3,8-bis[(Z)-prop-1-enyl]quinoline
CID 166885144
1,2-bis[(E)-prop-1-enyl]naphthalene
CID 19743380
6-ethenyl-N,N-diphenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine
CID 170405383
2-[(3E)-hexa-1,3,5-trien-3-yl]-4-[(5E)-7-methyl-6-methylidene-8-[(Z)-prop-1-enyl]-5-prop-2-enylidenenaphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 156706363
ethane;1-[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-dimethyl-2-[(Z)-prop-1-enyl]indole
CID 144884394
ethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;methane;propane;prop-1-ene
CID 145452849
2-chloro-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazine
CID 145217979
ethane;1-ethenyl-2-[(Z)-prop-1-enyl]benzene;methylphosphane;propane
CID 142250050
5-[4-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]isoquinoline
CID 146549976
2-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 134447786

Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-2-[(3E)-penta-1,3-dien-3-yl]-4-phenyl-7-[(Z)-prop-1-enyl]quinazoline?
The IUPAC name of 8-ethenyl-2-[(3E)-penta-1,3-dien-3-yl]-4-phenyl-7-[(Z)-prop-1-enyl]quinazoline (CID 144968893) is 8-ethenyl-2-[(3E)-penta-1,3-dien-3-yl]-4-phenyl-7-[(Z)-prop-1-enyl]quinazoline.
What is the SMILES notation for 8-ethenyl-2-[(3E)-penta-1,3-dien-3-yl]-4-phenyl-7-[(Z)-prop-1-enyl]quinazoline?
The canonical SMILES for 8-ethenyl-2-[(3E)-penta-1,3-dien-3-yl]-4-phenyl-7-[(Z)-prop-1-enyl]quinazoline is C=C/C(=C\C)c1nc(-c2ccccc2)c2ccc(/C=C\C)c(C=C)c2n1.
What is the InChIKey of 8-ethenyl-2-[(3E)-penta-1,3-dien-3-yl]-4-phenyl-7-[(Z)-prop-1-enyl]quinazoline?
The InChIKey is DPMCINHCQXPAOU-JUXYOQQVSA-N. The full InChI is InChI=1S/C24H22N2/c1-5-12-18-15-16-21-22(19-13-10-9-11-14-19)25-24(17(6-2)7-3)26-23(21)20(18)8-4/h5-16H,2,4H2,1,3H3/b12-5-,17-7+.
What are the key properties of 8-ethenyl-2-[(3E)-penta-1,3-dien-3-yl]-4-phenyl-7-[(Z)-prop-1-enyl]quinazoline?
8-ethenyl-2-[(3E)-penta-1,3-dien-3-yl]-4-phenyl-7-[(Z)-prop-1-enyl]quinazoline has a molecular weight of 338.45 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-2-[(3E)-penta-1,3-dien-3-yl]-4-phenyl-7-[(Z)-prop-1-enyl]quinazoline is sourced from PubChem (CID 144968893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).