5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3,4-dihydro-2H-quinazolin-2-ol

C28H25Cl3N2O3 — CID 142802812

IUPAC5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3,4-dihydro-2H-quinazolin-2-ol
SMILESOC1NCc2c(-c3ccccc3Cl)cc(C3=CCC4(CC3)OCCO4)cc2N1c1c(Cl)cccc1Cl
InChIInChI=1S/C28H25Cl3N2O3/c29-22-5-2-1-4-19(22)20-14-18(17-8-10-28(11-9-17)35-12-13-36-28)15-25-21(20)16-32-27(34)33(25)26-23(30)6-3-7-24(26)31/h1-8,14-15,27,32,34H,9-13,16H2
InChIKeySSUHOMVACDAQMQ-UHFFFAOYSA-N
MW543.88 g/mol
LogP7.14
Rot. Bonds3

About 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3,4-dihydro-2H-quinazolin-2-ol

5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3,4-dihydro-2H-quinazolin-2-ol (PubChem CID 142802812) has the molecular formula C28H25Cl3N2O3 and a molecular weight of 543.88 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3,4-dihydro-2H-quinazolin-2-ol.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3,4-dihydro-2H-quinazolin-2-ol
PubChem CID142802812
Molecular FormulaC28H25Cl3N2O3
Molecular Weight543.88 g/mol
Exact Mass542.09
IUPAC Name5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3,4-dihydro-2H-quinazolin-2-ol
SMILESOC1NCc2c(-c3ccccc3Cl)cc(C3=CCC4(CC3)OCCO4)cc2N1c1c(Cl)cccc1Cl
InChIInChI=1S/C28H25Cl3N2O3/c29-22-5-2-1-4-19(22)20-14-18(17-8-10-28(11-9-17)35-12-13-36-28)15-25-21(20)16-32-27(34)33(25)26-23(30)6-3-7-24(26)31/h1-8,14-15,27,32,34H,9-13,16H2
InChIKeySSUHOMVACDAQMQ-UHFFFAOYSA-N
XLogP7.14
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.88
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3,4-dihydro-2H-quinazolin-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3,4-dihydro-2H-quinazolin-2-ol?
The IUPAC name of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3,4-dihydro-2H-quinazolin-2-ol (CID 142802812) is 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3,4-dihydro-2H-quinazolin-2-ol.
What is the SMILES notation for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3,4-dihydro-2H-quinazolin-2-ol?
The canonical SMILES for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3,4-dihydro-2H-quinazolin-2-ol is OC1NCc2c(-c3ccccc3Cl)cc(C3=CCC4(CC3)OCCO4)cc2N1c1c(Cl)cccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3,4-dihydro-2H-quinazolin-2-ol?
The InChIKey is SSUHOMVACDAQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl3N2O3/c29-22-5-2-1-4-19(22)20-14-18(17-8-10-28(11-9-17)35-12-13-36-28)15-25-21(20)16-32-27(34)33(25)26-23(30)6-3-7-24(26)31/h1-8,14-15,27,32,34H,9-13,16H2.
What are the key properties of 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3,4-dihydro-2H-quinazolin-2-ol?
5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3,4-dihydro-2H-quinazolin-2-ol has a molecular weight of 543.88 g/mol, XLogP of 7.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-7-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3,4-dihydro-2H-quinazolin-2-ol is sourced from PubChem (CID 142802812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).