(5E)-9-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-4H-tetrazolo[5,1-b]quinazoline

C23H23N5O2 — CID 135517008

IUPAC(5E)-9-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-4H-tetrazolo[5,1-b]quinazoline
SMILESCOc1ccccc1/C=C1\CCCC2=C1Nc1nnnn1C2c1ccccc1OC
InChIInChI=1S/C23H23N5O2/c1-29-19-12-5-3-8-15(19)14-16-9-7-11-18-21(16)24-23-25-26-27-28(23)22(18)17-10-4-6-13-20(17)30-2/h3-6,8,10,12-14,22H,7,9,11H2,1-2H3,(H,24,25,27)/b16-14+
InChIKeyIOAZYYKOWNFKAY-JQIJEIRASA-N
MW401.47 g/mol
LogP4.23
Rot. Bonds4

About (5E)-9-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-4H-tetrazolo[5,1-b]quinazoline

(5E)-9-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-4H-tetrazolo[5,1-b]quinazoline (PubChem CID 135517008) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is (5E)-9-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-4H-tetrazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name(5E)-9-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-4H-tetrazolo[5,1-b]quinazoline
PubChem CID135517008
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name(5E)-9-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-4H-tetrazolo[5,1-b]quinazoline
SMILESCOc1ccccc1/C=C1\CCCC2=C1Nc1nnnn1C2c1ccccc1OC
InChIInChI=1S/C23H23N5O2/c1-29-19-12-5-3-8-15(19)14-16-9-7-11-18-21(16)24-23-25-26-27-28(23)22(18)17-10-4-6-13-20(17)30-2/h3-6,8,10,12-14,22H,7,9,11H2,1-2H3,(H,24,25,27)/b16-14+
InChIKeyIOAZYYKOWNFKAY-JQIJEIRASA-N
XLogP4.23
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5E)-9-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-4H-tetrazolo[5,1-b]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 (5E)-9-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-4H-tetrazolo[5,1-b]quinazoline?
The IUPAC name of (5E)-9-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-4H-tetrazolo[5,1-b]quinazoline (CID 135517008) is (5E)-9-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-4H-tetrazolo[5,1-b]quinazoline.
What is the SMILES notation for (5E)-9-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-4H-tetrazolo[5,1-b]quinazoline?
The canonical SMILES for (5E)-9-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-4H-tetrazolo[5,1-b]quinazoline is COc1ccccc1/C=C1\CCCC2=C1Nc1nnnn1C2c1ccccc1OC.
What is the InChIKey of (5E)-9-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-4H-tetrazolo[5,1-b]quinazoline?
The InChIKey is IOAZYYKOWNFKAY-JQIJEIRASA-N. The full InChI is InChI=1S/C23H23N5O2/c1-29-19-12-5-3-8-15(19)14-16-9-7-11-18-21(16)24-23-25-26-27-28(23)22(18)17-10-4-6-13-20(17)30-2/h3-6,8,10,12-14,22H,7,9,11H2,1-2H3,(H,24,25,27)/b16-14+.
What are the key properties of (5E)-9-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-4H-tetrazolo[5,1-b]quinazoline?
(5E)-9-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-4H-tetrazolo[5,1-b]quinazoline has a molecular weight of 401.47 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-9-(2-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-4H-tetrazolo[5,1-b]quinazoline is sourced from PubChem (CID 135517008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).