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

C32H35ClN8O — CID 89383146

IUPAC(Z)-3-amino-1-[5-(3-chlorophenyl)-1,2-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-2-[ethenyl(methyl)amino]-1-[4-(piperidin-1-ylmethyl)phenyl]prop-2-en-1-ol
SMILESC=CN(C)/C(=C\N)C(O)(c1ccc(CN2CCCCC2)cc1)c1ccc2c(c1)C(c1cccc(Cl)c1)=NC1=NNNN12
InChIInChI=1S/C32H35ClN8O/c1-3-39(2)29(20-34)32(42,24-12-10-22(11-13-24)21-40-16-5-4-6-17-40)25-14-15-28-27(19-25)30(23-8-7-9-26(33)18-23)35-31-36-37-38-41(28)31/h3,7-15,18-20,37-38,42H,1,4-6,16-17,21,34H2,2H3/b29-20-
InChIKeyGYVVXFQMJSRFIY-BRPDVVIDSA-N
MW583.14 g/mol
LogP4.39
Rot. Bonds8

About (Z)-3-amino-1-[5-(3-chlorophenyl)-1,2-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-2-[ethenyl(methyl)amino]-1-[4-(piperidin-1-ylmethyl)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-(piperidin-1-ylmethyl)phenyl]prop-2-en-1-ol (PubChem CID 89383146) has the molecular formula C32H35ClN8O and a molecular weight of 583.14 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-(piperidin-1-ylmethyl)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-(piperidin-1-ylmethyl)phenyl]prop-2-en-1-ol
PubChem CID89383146
Molecular FormulaC32H35ClN8O
Molecular Weight583.14 g/mol
Exact Mass582.26
IUPAC Name(Z)-3-amino-1-[5-(3-chlorophenyl)-1,2-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-2-[ethenyl(methyl)amino]-1-[4-(piperidin-1-ylmethyl)phenyl]prop-2-en-1-ol
SMILESC=CN(C)/C(=C\N)C(O)(c1ccc(CN2CCCCC2)cc1)c1ccc2c(c1)C(c1cccc(Cl)c1)=NC1=NNNN12
InChIInChI=1S/C32H35ClN8O/c1-3-39(2)29(20-34)32(42,24-12-10-22(11-13-24)21-40-16-5-4-6-17-40)25-14-15-28-27(19-25)30(23-8-7-9-26(33)18-23)35-31-36-37-38-41(28)31/h3,7-15,18-20,37-38,42H,1,4-6,16-17,21,34H2,2H3/b29-20-
InChIKeyGYVVXFQMJSRFIY-BRPDVVIDSA-N
XLogP4.39
TPSA104.75 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.14
LogP ≤ 54.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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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-(piperidin-1-ylmethyl)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-(piperidin-1-ylmethyl)phenyl]prop-2-en-1-ol (CID 89383146) is (Z)-3-amino-1-[5-(3-chlorophenyl)-1,2-dihydrotetrazolo[1,5-a]quinazolin-7-yl]-2-[ethenyl(methyl)amino]-1-[4-(piperidin-1-ylmethyl)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-(piperidin-1-ylmethyl)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-(piperidin-1-ylmethyl)phenyl]prop-2-en-1-ol is C=CN(C)/C(=C\N)C(O)(c1ccc(CN2CCCCC2)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-(piperidin-1-ylmethyl)phenyl]prop-2-en-1-ol?
The InChIKey is GYVVXFQMJSRFIY-BRPDVVIDSA-N. The full InChI is InChI=1S/C32H35ClN8O/c1-3-39(2)29(20-34)32(42,24-12-10-22(11-13-24)21-40-16-5-4-6-17-40)25-14-15-28-27(19-25)30(23-8-7-9-26(33)18-23)35-31-36-37-38-41(28)31/h3,7-15,18-20,37-38,42H,1,4-6,16-17,21,34H2,2H3/b29-20-.
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-(piperidin-1-ylmethyl)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-(piperidin-1-ylmethyl)phenyl]prop-2-en-1-ol has a molecular weight of 583.14 g/mol, XLogP of 4.39, 8 rotatable bonds, 4 hydrogen bond donors, and 9 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-(piperidin-1-ylmethyl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 89383146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).