3-pent-4-enyl-2H-quinazoline

C13H16N2 — CID 175743153

IUPAC3-pent-4-enyl-2H-quinazoline
SMILESC=CCCCN1C=c2ccccc2=NC1
InChIInChI=1S/C13H16N2/c1-2-3-6-9-15-10-12-7-4-5-8-13(12)14-11-15/h2,4-5,7-8,10H,1,3,6,9,11H2
InChIKeyMVWZCWOBTIBTPW-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.28
Rot. Bonds4

About 3-pent-4-enyl-2H-quinazoline

3-pent-4-enyl-2H-quinazoline (PubChem CID 175743153) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-pent-4-enyl-2H-quinazoline.

Molecular Properties

Compound Name3-pent-4-enyl-2H-quinazoline
PubChem CID175743153
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name3-pent-4-enyl-2H-quinazoline
SMILESC=CCCCN1C=c2ccccc2=NC1
InChIInChI=1S/C13H16N2/c1-2-3-6-9-15-10-12-7-4-5-8-13(12)14-11-15/h2,4-5,7-8,10H,1,3,6,9,11H2
InChIKeyMVWZCWOBTIBTPW-UHFFFAOYSA-N
XLogP1.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pent-4-enyl-2H-quinazoline?
The IUPAC name of 3-pent-4-enyl-2H-quinazoline (CID 175743153) is 3-pent-4-enyl-2H-quinazoline.
What is the SMILES notation for 3-pent-4-enyl-2H-quinazoline?
The canonical SMILES for 3-pent-4-enyl-2H-quinazoline is C=CCCCN1C=c2ccccc2=NC1.
What is the InChIKey of 3-pent-4-enyl-2H-quinazoline?
The InChIKey is MVWZCWOBTIBTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-3-6-9-15-10-12-7-4-5-8-13(12)14-11-15/h2,4-5,7-8,10H,1,3,6,9,11H2.
What are the key properties of 3-pent-4-enyl-2H-quinazoline?
3-pent-4-enyl-2H-quinazoline has a molecular weight of 200.28 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-enyl-2H-quinazoline is sourced from PubChem (CID 175743153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).