2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinazoline

C19H18N6O2 — CID 14650371

IUPAC2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinazoline
SMILESc1ccc2nc(COc3ccc(OCCCc4nn[nH]n4)cc3)ncc2c1
InChIInChI=1S/C19H18N6O2/c1-2-5-17-14(4-1)12-20-19(21-17)13-27-16-9-7-15(8-10-16)26-11-3-6-18-22-24-25-23-18/h1-2,4-5,7-10,12H,3,6,11,13H2,(H,22,23,24,25)
InChIKeyWLPRPGJQKABLEH-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.73
Rot. Bonds8

About 2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinazoline

2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinazoline (PubChem CID 14650371) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinazoline.

Molecular Properties

Compound Name2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinazoline
PubChem CID14650371
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinazoline
SMILESc1ccc2nc(COc3ccc(OCCCc4nn[nH]n4)cc3)ncc2c1
InChIInChI=1S/C19H18N6O2/c1-2-5-17-14(4-1)12-20-19(21-17)13-27-16-9-7-15(8-10-16)26-11-3-6-18-22-24-25-23-18/h1-2,4-5,7-10,12H,3,6,11,13H2,(H,22,23,24,25)
InChIKeyWLPRPGJQKABLEH-UHFFFAOYSA-N
XLogP2.73
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinazoline?
The IUPAC name of 2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinazoline (CID 14650371) is 2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinazoline.
What is the SMILES notation for 2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinazoline?
The canonical SMILES for 2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinazoline is c1ccc2nc(COc3ccc(OCCCc4nn[nH]n4)cc3)ncc2c1.
What is the InChIKey of 2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinazoline?
The InChIKey is WLPRPGJQKABLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-2-5-17-14(4-1)12-20-19(21-17)13-27-16-9-7-15(8-10-16)26-11-3-6-18-22-24-25-23-18/h1-2,4-5,7-10,12H,3,6,11,13H2,(H,22,23,24,25).
What are the key properties of 2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinazoline?
2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinazoline has a molecular weight of 362.39 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinazoline is sourced from PubChem (CID 14650371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).