3-[[5-(6-ethoxy-7-methoxyquinazolin-4-yl)tetrazol-1-yl]methyl]aniline

C19H19N7O2 — CID 89185732

IUPAC3-[[5-(6-ethoxy-7-methoxyquinazolin-4-yl)tetrazol-1-yl]methyl]aniline
SMILESCCOc1cc2c(-c3nnnn3Cc3cccc(N)c3)ncnc2cc1OC
InChIInChI=1S/C19H19N7O2/c1-3-28-17-8-14-15(9-16(17)27-2)21-11-22-18(14)19-23-24-25-26(19)10-12-5-4-6-13(20)7-12/h4-9,11H,3,10,20H2,1-2H3
InChIKeyRJNRKTWAPYGNNM-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.32
Rot. Bonds6

About 3-[[5-(6-ethoxy-7-methoxyquinazolin-4-yl)tetrazol-1-yl]methyl]aniline

3-[[5-(6-ethoxy-7-methoxyquinazolin-4-yl)tetrazol-1-yl]methyl]aniline (PubChem CID 89185732) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 3-[[5-(6-ethoxy-7-methoxyquinazolin-4-yl)tetrazol-1-yl]methyl]aniline.

Molecular Properties

Compound Name3-[[5-(6-ethoxy-7-methoxyquinazolin-4-yl)tetrazol-1-yl]methyl]aniline
PubChem CID89185732
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name3-[[5-(6-ethoxy-7-methoxyquinazolin-4-yl)tetrazol-1-yl]methyl]aniline
SMILESCCOc1cc2c(-c3nnnn3Cc3cccc(N)c3)ncnc2cc1OC
InChIInChI=1S/C19H19N7O2/c1-3-28-17-8-14-15(9-16(17)27-2)21-11-22-18(14)19-23-24-25-26(19)10-12-5-4-6-13(20)7-12/h4-9,11H,3,10,20H2,1-2H3
InChIKeyRJNRKTWAPYGNNM-UHFFFAOYSA-N
XLogP2.32
TPSA113.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(6-ethoxy-7-methoxyquinazolin-4-yl)tetrazol-1-yl]methyl]aniline?
The IUPAC name of 3-[[5-(6-ethoxy-7-methoxyquinazolin-4-yl)tetrazol-1-yl]methyl]aniline (CID 89185732) is 3-[[5-(6-ethoxy-7-methoxyquinazolin-4-yl)tetrazol-1-yl]methyl]aniline.
What is the SMILES notation for 3-[[5-(6-ethoxy-7-methoxyquinazolin-4-yl)tetrazol-1-yl]methyl]aniline?
The canonical SMILES for 3-[[5-(6-ethoxy-7-methoxyquinazolin-4-yl)tetrazol-1-yl]methyl]aniline is CCOc1cc2c(-c3nnnn3Cc3cccc(N)c3)ncnc2cc1OC.
What is the InChIKey of 3-[[5-(6-ethoxy-7-methoxyquinazolin-4-yl)tetrazol-1-yl]methyl]aniline?
The InChIKey is RJNRKTWAPYGNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-3-28-17-8-14-15(9-16(17)27-2)21-11-22-18(14)19-23-24-25-26(19)10-12-5-4-6-13(20)7-12/h4-9,11H,3,10,20H2,1-2H3.
What are the key properties of 3-[[5-(6-ethoxy-7-methoxyquinazolin-4-yl)tetrazol-1-yl]methyl]aniline?
3-[[5-(6-ethoxy-7-methoxyquinazolin-4-yl)tetrazol-1-yl]methyl]aniline has a molecular weight of 377.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(6-ethoxy-7-methoxyquinazolin-4-yl)tetrazol-1-yl]methyl]aniline is sourced from PubChem (CID 89185732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).