3-pentyl-2H-quinazoline

C13H18N2 — CID 69328254

IUPAC3-pentyl-2H-quinazoline
SMILESCCCCCN1C=c2ccccc2=NC1
InChIInChI=1S/C13H18N2/c1-2-3-6-9-15-10-12-7-4-5-8-13(12)14-11-15/h4-5,7-8,10H,2-3,6,9,11H2,1H3
InChIKeyNMTIIBZNJXRXGR-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.51
Rot. Bonds4

About 3-pentyl-2H-quinazoline

3-pentyl-2H-quinazoline (PubChem CID 69328254) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-pentyl-2H-quinazoline.

Molecular Properties

Compound Name3-pentyl-2H-quinazoline
PubChem CID69328254
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3-pentyl-2H-quinazoline
SMILESCCCCCN1C=c2ccccc2=NC1
InChIInChI=1S/C13H18N2/c1-2-3-6-9-15-10-12-7-4-5-8-13(12)14-11-15/h4-5,7-8,10H,2-3,6,9,11H2,1H3
InChIKeyNMTIIBZNJXRXGR-UHFFFAOYSA-N
XLogP1.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pentyl-2H-quinazoline?
The IUPAC name of 3-pentyl-2H-quinazoline (CID 69328254) is 3-pentyl-2H-quinazoline.
What is the SMILES notation for 3-pentyl-2H-quinazoline?
The canonical SMILES for 3-pentyl-2H-quinazoline is CCCCCN1C=c2ccccc2=NC1.
What is the InChIKey of 3-pentyl-2H-quinazoline?
The InChIKey is NMTIIBZNJXRXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-3-6-9-15-10-12-7-4-5-8-13(12)14-11-15/h4-5,7-8,10H,2-3,6,9,11H2,1H3.
What are the key properties of 3-pentyl-2H-quinazoline?
3-pentyl-2H-quinazoline has a molecular weight of 202.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-2H-quinazoline is sourced from PubChem (CID 69328254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).