8'-chloro-5-(4-chlorophenyl)-3-phenylspiro[1,3,4-oxadiazole-2,6'-indolo[2,1-b]quinazoline]-12'-one

C28H16Cl2N4O2 — CID 137346411

IUPAC8'-chloro-5-(4-chlorophenyl)-3-phenylspiro[1,3,4-oxadiazole-2,6'-indolo[2,1-b]quinazoline]-12'-one
SMILESO=c1c2ccccc2nc2n1-c1ccc(Cl)cc1C21OC(c2ccc(Cl)cc2)=NN1c1ccccc1
InChIInChI=1S/C28H16Cl2N4O2/c29-18-12-10-17(11-13-18)25-32-34(20-6-2-1-3-7-20)28(36-25)22-16-19(30)14-15-24(22)33-26(35)21-8-4-5-9-23(21)31-27(28)33/h1-16H
InChIKeyWMDGPAYQJQZNNM-UHFFFAOYSA-N
MW511.37 g/mol
LogP6.11
Rot. Bonds2

About 8'-chloro-5-(4-chlorophenyl)-3-phenylspiro[1,3,4-oxadiazole-2,6'-indolo[2,1-b]quinazoline]-12'-one

8'-chloro-5-(4-chlorophenyl)-3-phenylspiro[1,3,4-oxadiazole-2,6'-indolo[2,1-b]quinazoline]-12'-one (PubChem CID 137346411) has the molecular formula C28H16Cl2N4O2 and a molecular weight of 511.37 g/mol. Its IUPAC name is 8'-chloro-5-(4-chlorophenyl)-3-phenylspiro[1,3,4-oxadiazole-2,6'-indolo[2,1-b]quinazoline]-12'-one.

Molecular Properties

Compound Name8'-chloro-5-(4-chlorophenyl)-3-phenylspiro[1,3,4-oxadiazole-2,6'-indolo[2,1-b]quinazoline]-12'-one
PubChem CID137346411
Molecular FormulaC28H16Cl2N4O2
Molecular Weight511.37 g/mol
Exact Mass510.07
IUPAC Name8'-chloro-5-(4-chlorophenyl)-3-phenylspiro[1,3,4-oxadiazole-2,6'-indolo[2,1-b]quinazoline]-12'-one
SMILESO=c1c2ccccc2nc2n1-c1ccc(Cl)cc1C21OC(c2ccc(Cl)cc2)=NN1c1ccccc1
InChIInChI=1S/C28H16Cl2N4O2/c29-18-12-10-17(11-13-18)25-32-34(20-6-2-1-3-7-20)28(36-25)22-16-19(30)14-15-24(22)33-26(35)21-8-4-5-9-23(21)31-27(28)33/h1-16H
InChIKeyWMDGPAYQJQZNNM-UHFFFAOYSA-N
XLogP6.11
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.37
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8'-chloro-5-(4-chlorophenyl)-3-phenylspiro[1,3,4-oxadiazole-2,6'-indolo[2,1-b]quinazoline]-12'-one with MolForge

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Related Compounds

8-chloro-6-hydroxy-6-(2-phenylethynyl)indolo[2,1-b]quinazolin-12-one
CID 162416316
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030
3-(4-chloro-2-methylphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 20966750
2-(2,4-dichlorophenyl)spiro[3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine-4,6'-indolo[2,1-b]quinazoline]-1,3,12'-trione
CID 73403038
2-chloro-6-hydroxy-6-(quinolin-2-ylmethyl)indolo[2,1-b]quinazolin-12-one
CID 141497950
2-[(6R)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]acetic acid
CID 132520591
3-(3-chlorophenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinazolin-4-one
CID 29252167
3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one
CID 3031678
3-(4-chlorophenyl)-2-phenoxyquinazolin-4-one
CID 86039228
6-cyclopentyl-6-hydroxyindolo[2,1-b]quinazolin-12-one
CID 135029602
6-hydroxy-6-(2-phenylethyl)indolo[2,1-b]quinazolin-12-one
CID 162416327
3-(2-chlorophenyl)-2-[2-(2,4-dichlorophenyl)ethenyl]quinazolin-4-one
CID 3843780

Frequently Asked Questions

What is the IUPAC name of 8'-chloro-5-(4-chlorophenyl)-3-phenylspiro[1,3,4-oxadiazole-2,6'-indolo[2,1-b]quinazoline]-12'-one?
The IUPAC name of 8'-chloro-5-(4-chlorophenyl)-3-phenylspiro[1,3,4-oxadiazole-2,6'-indolo[2,1-b]quinazoline]-12'-one (CID 137346411) is 8'-chloro-5-(4-chlorophenyl)-3-phenylspiro[1,3,4-oxadiazole-2,6'-indolo[2,1-b]quinazoline]-12'-one.
What is the SMILES notation for 8'-chloro-5-(4-chlorophenyl)-3-phenylspiro[1,3,4-oxadiazole-2,6'-indolo[2,1-b]quinazoline]-12'-one?
The canonical SMILES for 8'-chloro-5-(4-chlorophenyl)-3-phenylspiro[1,3,4-oxadiazole-2,6'-indolo[2,1-b]quinazoline]-12'-one is O=c1c2ccccc2nc2n1-c1ccc(Cl)cc1C21OC(c2ccc(Cl)cc2)=NN1c1ccccc1.
What is the InChIKey of 8'-chloro-5-(4-chlorophenyl)-3-phenylspiro[1,3,4-oxadiazole-2,6'-indolo[2,1-b]quinazoline]-12'-one?
The InChIKey is WMDGPAYQJQZNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16Cl2N4O2/c29-18-12-10-17(11-13-18)25-32-34(20-6-2-1-3-7-20)28(36-25)22-16-19(30)14-15-24(22)33-26(35)21-8-4-5-9-23(21)31-27(28)33/h1-16H.
What are the key properties of 8'-chloro-5-(4-chlorophenyl)-3-phenylspiro[1,3,4-oxadiazole-2,6'-indolo[2,1-b]quinazoline]-12'-one?
8'-chloro-5-(4-chlorophenyl)-3-phenylspiro[1,3,4-oxadiazole-2,6'-indolo[2,1-b]quinazoline]-12'-one has a molecular weight of 511.37 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-chloro-5-(4-chlorophenyl)-3-phenylspiro[1,3,4-oxadiazole-2,6'-indolo[2,1-b]quinazoline]-12'-one is sourced from PubChem (CID 137346411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).