(Z)-3-amino-1-[5-(3-chlorophenyl)-1,2-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-2-[ethenyl(methyl)amino]-1-[4-[(2-methoxyethylamino)methyl]phenyl]prop-2-en-1-ol

C30H33ClN8O2 — CID 89383135

About (Z)-3-amino-1-[5-(3-chlorophenyl)-1,2-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-2-[ethenyl(methyl)amino]-1-[4-[(2-methoxyethylamino)methyl]phenyl]prop-2-en-1-ol

(Z)-3-amino-1-[5-(3-chlorophenyl)-1,2-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-2-[ethenyl(methyl)amino]-1-[4-[(2-methoxyethylamino)methyl]phenyl]prop-2-en-1-ol (PubChem CID 89383135) has the molecular formula C30H33ClN8O2 and a molecular weight of 573.10 g/mol. Its IUPAC name is (Z)-3-amino-1-[5-(3-chlorophenyl)-1,2-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-2-[ethenyl(methyl)amino]-1-[4-[(2-methoxyethylamino)methyl]phenyl]prop-2-en-1-ol.

Molecular Properties

• Compound Name: (Z)-3-amino-1-[5-(3-chlorophenyl)-1,2-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-2-[ethenyl(methyl)amino]-1-[4-[(2-methoxyethylamino)methyl]phenyl]prop-2-en-1-ol
• PubChem CID: 89383135
• Molecular Formula: C30H33ClN8O2
• Molecular Weight: 573.10 g/mol
• Exact Mass: 572.24
• IUPAC Name: (Z)-3-amino-1-[5-(3-chlorophenyl)-1,2-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-2-[ethenyl(methyl)amino]-1-[4-[(2-methoxyethylamino)methyl]phenyl]prop-2-en-1-ol
• SMILES: C=CN(C)/C(=C\N)C(O)(c1ccc(CNCCOC)cc1)c1ccc2c(c1)C(c1cccc(Cl)c1)=NC1=NNNN12
• InChI: InChI=1S/C30H33ClN8O2/c1-4-38(2)27(18-32)30(40,22-10-8-20(9-11-22)19-33-14-15-41-3)23-12-13-26-25(17-23)28(21-6-5-7-24(31)16-21)34-29-35-36-37-39(26)29/h4-13,16-18,33,36-37,40H,1,14-15,19,32H2,2-3H3/b27-18-
• InChIKey: CIERNAQDZIYIOH-IMRQLAEWSA-N
• XLogP: 3.14
• TPSA: 122.77 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.10
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-1-[5-(3-chlorophenyl)-1,2-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-2-[ethenyl(methyl)amino]-1-[4-[(2-methoxyethylamino)methyl]phenyl]prop-2-en-1-ol?

The IUPAC name of (Z)-3-amino-1-[5-(3-chlorophenyl)-1,2-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-2-[ethenyl(methyl)amino]-1-[4-[(2-methoxyethylamino)methyl]phenyl]prop-2-en-1-ol (CID 89383135) is (Z)-3-amino-1-[5-(3-chlorophenyl)-1,2-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-2-[ethenyl(methyl)amino]-1-[4-[(2-methoxyethylamino)methyl]phenyl]prop-2-en-1-ol.

What is the SMILES notation for (Z)-3-amino-1-[5-(3-chlorophenyl)-1,2-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-2-[ethenyl(methyl)amino]-1-[4-[(2-methoxyethylamino)methyl]phenyl]prop-2-en-1-ol?

The canonical SMILES for (Z)-3-amino-1-[5-(3-chlorophenyl)-1,2-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-2-[ethenyl(methyl)amino]-1-[4-[(2-methoxyethylamino)methyl]phenyl]prop-2-en-1-ol is C=CN(C)/C(=C\N)C(O)(c1ccc(CNCCOC)cc1)c1ccc2c(c1)C(c1cccc(Cl)c1)=NC1=NNNN12.

What is the InChIKey of (Z)-3-amino-1-[5-(3-chlorophenyl)-1,2-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-2-[ethenyl(methyl)amino]-1-[4-[(2-methoxyethylamino)methyl]phenyl]prop-2-en-1-ol?

The InChIKey is CIERNAQDZIYIOH-IMRQLAEWSA-N. The full InChI is InChI=1S/C30H33ClN8O2/c1-4-38(2)27(18-32)30(40,22-10-8-20(9-11-22)19-33-14-15-41-3)23-12-13-26-25(17-23)28(21-6-5-7-24(31)16-21)34-29-35-36-37-39(26)29/h4-13,16-18,33,36-37,40H,1,14-15,19,32H2,2-3H3/b27-18-.

What are the key properties of (Z)-3-amino-1-[5-(3-chlorophenyl)-1,2-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-2-[ethenyl(methyl)amino]-1-[4-[(2-methoxyethylamino)methyl]phenyl]prop-2-en-1-ol?

(Z)-3-amino-1-[5-(3-chlorophenyl)-1,2-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-2-[ethenyl(methyl)amino]-1-[4-[(2-methoxyethylamino)methyl]phenyl]prop-2-en-1-ol has a molecular weight of 573.10 g/mol, XLogP of 3.14, 11 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-amino-1-[5-(3-chlorophenyl)-1,2-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-2-[ethenyl(methyl)amino]-1-[4-[(2-methoxyethylamino)methyl]phenyl]prop-2-en-1-ol is sourced from PubChem (CID 89383135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).