(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(E)-3-phenylprop-2-enyl]azanium

C22H26N3O3+ — CID 135808573

About (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(E)-3-phenylprop-2-enyl]azanium

(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(E)-3-phenylprop-2-enyl]azanium (PubChem CID 135808573) has the molecular formula C22H26N3O3+ and a molecular weight of 380.47 g/mol. Its IUPAC name is (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(E)-3-phenylprop-2-enyl]azanium.

Molecular Properties

• Compound Name: (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(E)-3-phenylprop-2-enyl]azanium
• PubChem CID: 135808573
• Molecular Formula: C22H26N3O3+
• Molecular Weight: 380.47 g/mol
• Exact Mass: 380.20
• IUPAC Name: (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(E)-3-phenylprop-2-enyl]azanium
• SMILES: CC[NH+](C/C=C/c1ccccc1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1
• InChI: InChI=1S/C22H25N3O3/c1-4-25(12-8-11-16-9-6-5-7-10-16)15-21-23-18-14-20(28-3)19(27-2)13-17(18)22(26)24-21/h5-11,13-14H,4,12,15H2,1-3H3,(H,23,24,26)/p+1/b11-8+
• InChIKey: PTBNFNKVIUKBIF-DHZHZOJOSA-O
• XLogP: 2.06
• TPSA: 68.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.47
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(E)-3-phenylprop-2-enyl]azanium?

The IUPAC name of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(E)-3-phenylprop-2-enyl]azanium (CID 135808573) is (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(E)-3-phenylprop-2-enyl]azanium.

What is the SMILES notation for (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(E)-3-phenylprop-2-enyl]azanium?

The canonical SMILES for (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(E)-3-phenylprop-2-enyl]azanium is CC[NH+](C/C=C/c1ccccc1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1.

What is the InChIKey of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(E)-3-phenylprop-2-enyl]azanium?

The InChIKey is PTBNFNKVIUKBIF-DHZHZOJOSA-O. The full InChI is InChI=1S/C22H25N3O3/c1-4-25(12-8-11-16-9-6-5-7-10-16)15-21-23-18-14-20(28-3)19(27-2)13-17(18)22(26)24-21/h5-11,13-14H,4,12,15H2,1-3H3,(H,23,24,26)/p+1/b11-8+.

What are the key properties of (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(E)-3-phenylprop-2-enyl]azanium?

(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(E)-3-phenylprop-2-enyl]azanium has a molecular weight of 380.47 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethyl-[(E)-3-phenylprop-2-enyl]azanium is sourced from PubChem (CID 135808573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).