1,3-bis(but-2-enyl)-2,4-dihydroquinazoline

C16H22N2 — CID 3391327

IUPAC1,3-bis(but-2-enyl)-2,4-dihydroquinazoline
SMILESCC=CCN1Cc2ccccc2N(CC=CC)C1
InChIInChI=1S/C16H22N2/c1-3-5-11-17-13-15-9-7-8-10-16(15)18(14-17)12-6-4-2/h3-10H,11-14H2,1-2H3
InChIKeyIWLQQZIEANJEBJ-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.42
Rot. Bonds4

About 1,3-bis(but-2-enyl)-2,4-dihydroquinazoline

1,3-bis(but-2-enyl)-2,4-dihydroquinazoline (PubChem CID 3391327) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1,3-bis(but-2-enyl)-2,4-dihydroquinazoline.

Molecular Properties

Compound Name1,3-bis(but-2-enyl)-2,4-dihydroquinazoline
PubChem CID3391327
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1,3-bis(but-2-enyl)-2,4-dihydroquinazoline
SMILESCC=CCN1Cc2ccccc2N(CC=CC)C1
InChIInChI=1S/C16H22N2/c1-3-5-11-17-13-15-9-7-8-10-16(15)18(14-17)12-6-4-2/h3-10H,11-14H2,1-2H3
InChIKeyIWLQQZIEANJEBJ-UHFFFAOYSA-N
XLogP3.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(but-2-enyl)-2,4-dihydroquinazoline?
The IUPAC name of 1,3-bis(but-2-enyl)-2,4-dihydroquinazoline (CID 3391327) is 1,3-bis(but-2-enyl)-2,4-dihydroquinazoline.
What is the SMILES notation for 1,3-bis(but-2-enyl)-2,4-dihydroquinazoline?
The canonical SMILES for 1,3-bis(but-2-enyl)-2,4-dihydroquinazoline is CC=CCN1Cc2ccccc2N(CC=CC)C1.
What is the InChIKey of 1,3-bis(but-2-enyl)-2,4-dihydroquinazoline?
The InChIKey is IWLQQZIEANJEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-5-11-17-13-15-9-7-8-10-16(15)18(14-17)12-6-4-2/h3-10H,11-14H2,1-2H3.
What are the key properties of 1,3-bis(but-2-enyl)-2,4-dihydroquinazoline?
1,3-bis(but-2-enyl)-2,4-dihydroquinazoline has a molecular weight of 242.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(but-2-enyl)-2,4-dihydroquinazoline is sourced from PubChem (CID 3391327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).