2-chloro-4-dibenzofuran-4-ylquinazoline;2-chloro-3-naphthalen-2-ylquinoxaline;2-chloro-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-chloro-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(3-phenyl-1-benzothiophen-2-yl)quinazoline;2-chloro-3-(4-phenylphenyl)quinoxaline

C112H66Cl6N12OS3 — CID 163855938

IUPAC2-chloro-4-dibenzofuran-4-ylquinazoline;2-chloro-3-naphthalen-2-ylquinoxaline;2-chloro-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-chloro-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(3-phenyl-1-benzothiophen-2-yl)quinazoline;2-chloro-3-(4-phenylphenyl)quinoxaline
SMILESClc1nc(-c2cccc3c2oc2ccccc23)c2ccccc2n1.Clc1nc(-c2ccccc2)c2c(n1)sc1ccccc12.Clc1nc(-c2ccccc2)c2sc3ccccc3c2n1.Clc1nc(-c2sc3ccccc3c2-c2ccccc2)c2ccccc2n1.Clc1nc2ccccc2nc1-c1ccc(-c2ccccc2)cc1.Clc1nc2ccccc2nc1-c1ccc2ccccc2c1
InChIInChI=1S/C22H13ClN2S.C20H11ClN2O.C20H13ClN2.C18H11ClN2.2C16H9ClN2S/c23-22-24-17-12-6-4-10-15(17)20(25-22)21-19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)26-21;21-20-22-16-10-3-1-7-14(16)18(23-20)15-9-5-8-13-12-6-2-4-11-17(12)24-19(13)15;21-20-19(22-17-8-4-5-9-18(17)23-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14;19-18-17(20-15-7-3-4-8-16(15)21-18)14-10-9-12-5-1-2-6-13(12)11-14;17-16-18-14(10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)20-15(13)19-16;17-16-18-13(10-6-2-1-3-7-10)15-14(19-16)11-8-4-5-9-12(11)20-15/h1-13H;1-11H;1-13H;1-11H;2*1-9H
InChIKeyOYHOXKMBOYDPKU-UHFFFAOYSA-N
MW1904.76 g/mol
LogP33.73
Rot. Bonds8

About 2-chloro-4-dibenzofuran-4-ylquinazoline;2-chloro-3-naphthalen-2-ylquinoxaline;2-chloro-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-chloro-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(3-phenyl-1-benzothiophen-2-yl)quinazoline;2-chloro-3-(4-phenylphenyl)quinoxaline

2-chloro-4-dibenzofuran-4-ylquinazoline;2-chloro-3-naphthalen-2-ylquinoxaline;2-chloro-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-chloro-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(3-phenyl-1-benzothiophen-2-yl)quinazoline;2-chloro-3-(4-phenylphenyl)quinoxaline (PubChem CID 163855938) has the molecular formula C112H66Cl6N12OS3 and a molecular weight of 1904.76 g/mol. Its IUPAC name is 2-chloro-4-dibenzofuran-4-ylquinazoline;2-chloro-3-naphthalen-2-ylquinoxaline;2-chloro-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-chloro-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(3-phenyl-1-benzothiophen-2-yl)quinazoline;2-chloro-3-(4-phenylphenyl)quinoxaline.

Molecular Properties

Compound Name2-chloro-4-dibenzofuran-4-ylquinazoline;2-chloro-3-naphthalen-2-ylquinoxaline;2-chloro-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-chloro-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(3-phenyl-1-benzothiophen-2-yl)quinazoline;2-chloro-3-(4-phenylphenyl)quinoxaline
PubChem CID163855938
Molecular FormulaC112H66Cl6N12OS3
Molecular Weight1904.76 g/mol
Exact Mass1900.28
IUPAC Name2-chloro-4-dibenzofuran-4-ylquinazoline;2-chloro-3-naphthalen-2-ylquinoxaline;2-chloro-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-chloro-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(3-phenyl-1-benzothiophen-2-yl)quinazoline;2-chloro-3-(4-phenylphenyl)quinoxaline
SMILESClc1nc(-c2cccc3c2oc2ccccc23)c2ccccc2n1.Clc1nc(-c2ccccc2)c2c(n1)sc1ccccc12.Clc1nc(-c2ccccc2)c2sc3ccccc3c2n1.Clc1nc(-c2sc3ccccc3c2-c2ccccc2)c2ccccc2n1.Clc1nc2ccccc2nc1-c1ccc(-c2ccccc2)cc1.Clc1nc2ccccc2nc1-c1ccc2ccccc2c1
InChIInChI=1S/C22H13ClN2S.C20H11ClN2O.C20H13ClN2.C18H11ClN2.2C16H9ClN2S/c23-22-24-17-12-6-4-10-15(17)20(25-22)21-19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)26-21;21-20-22-16-10-3-1-7-14(16)18(23-20)15-9-5-8-13-12-6-2-4-11-17(12)24-19(13)15;21-20-19(22-17-8-4-5-9-18(17)23-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14;19-18-17(20-15-7-3-4-8-16(15)21-18)14-10-9-12-5-1-2-6-13(12)11-14;17-16-18-14(10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)20-15(13)19-16;17-16-18-13(10-6-2-1-3-7-10)15-14(19-16)11-8-4-5-9-12(11)20-15/h1-13H;1-11H;1-13H;1-11H;2*1-9H
InChIKeyOYHOXKMBOYDPKU-UHFFFAOYSA-N
XLogP33.73
TPSA167.82 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms134
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001904.76
LogP ≤ 533.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-chloro-4-dibenzofuran-4-ylquinazoline;2-chloro-3-naphthalen-2-ylquinoxaline;2-chloro-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-chloro-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(3-phenyl-1-benzothiophen-2-yl)quinazoline;2-chloro-3-(4-phenylphenyl)quinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzofuran-4-ylquinazoline;2-chloro-3-naphthalen-2-ylquinoxaline;2-chloro-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-chloro-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(3-phenyl-1-benzothiophen-2-yl)quinazoline;2-chloro-3-(4-phenylphenyl)quinoxaline?
The IUPAC name of 2-chloro-4-dibenzofuran-4-ylquinazoline;2-chloro-3-naphthalen-2-ylquinoxaline;2-chloro-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-chloro-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(3-phenyl-1-benzothiophen-2-yl)quinazoline;2-chloro-3-(4-phenylphenyl)quinoxaline (CID 163855938) is 2-chloro-4-dibenzofuran-4-ylquinazoline;2-chloro-3-naphthalen-2-ylquinoxaline;2-chloro-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-chloro-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(3-phenyl-1-benzothiophen-2-yl)quinazoline;2-chloro-3-(4-phenylphenyl)quinoxaline.
What is the SMILES notation for 2-chloro-4-dibenzofuran-4-ylquinazoline;2-chloro-3-naphthalen-2-ylquinoxaline;2-chloro-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-chloro-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(3-phenyl-1-benzothiophen-2-yl)quinazoline;2-chloro-3-(4-phenylphenyl)quinoxaline?
The canonical SMILES for 2-chloro-4-dibenzofuran-4-ylquinazoline;2-chloro-3-naphthalen-2-ylquinoxaline;2-chloro-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-chloro-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(3-phenyl-1-benzothiophen-2-yl)quinazoline;2-chloro-3-(4-phenylphenyl)quinoxaline is Clc1nc(-c2cccc3c2oc2ccccc23)c2ccccc2n1.Clc1nc(-c2ccccc2)c2c(n1)sc1ccccc12.Clc1nc(-c2ccccc2)c2sc3ccccc3c2n1.Clc1nc(-c2sc3ccccc3c2-c2ccccc2)c2ccccc2n1.Clc1nc2ccccc2nc1-c1ccc(-c2ccccc2)cc1.Clc1nc2ccccc2nc1-c1ccc2ccccc2c1.
What is the InChIKey of 2-chloro-4-dibenzofuran-4-ylquinazoline;2-chloro-3-naphthalen-2-ylquinoxaline;2-chloro-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-chloro-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(3-phenyl-1-benzothiophen-2-yl)quinazoline;2-chloro-3-(4-phenylphenyl)quinoxaline?
The InChIKey is OYHOXKMBOYDPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClN2S.C20H11ClN2O.C20H13ClN2.C18H11ClN2.2C16H9ClN2S/c23-22-24-17-12-6-4-10-15(17)20(25-22)21-19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)26-21;21-20-22-16-10-3-1-7-14(16)18(23-20)15-9-5-8-13-12-6-2-4-11-17(12)24-19(13)15;21-20-19(22-17-8-4-5-9-18(17)23-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14;19-18-17(20-15-7-3-4-8-16(15)21-18)14-10-9-12-5-1-2-6-13(12)11-14;17-16-18-14(10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)20-15(13)19-16;17-16-18-13(10-6-2-1-3-7-10)15-14(19-16)11-8-4-5-9-12(11)20-15/h1-13H;1-11H;1-13H;1-11H;2*1-9H.
What are the key properties of 2-chloro-4-dibenzofuran-4-ylquinazoline;2-chloro-3-naphthalen-2-ylquinoxaline;2-chloro-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-chloro-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(3-phenyl-1-benzothiophen-2-yl)quinazoline;2-chloro-3-(4-phenylphenyl)quinoxaline?
2-chloro-4-dibenzofuran-4-ylquinazoline;2-chloro-3-naphthalen-2-ylquinoxaline;2-chloro-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-chloro-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(3-phenyl-1-benzothiophen-2-yl)quinazoline;2-chloro-3-(4-phenylphenyl)quinoxaline has a molecular weight of 1904.76 g/mol, XLogP of 33.73, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-dibenzofuran-4-ylquinazoline;2-chloro-3-naphthalen-2-ylquinoxaline;2-chloro-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine;2-chloro-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-chloro-4-(3-phenyl-1-benzothiophen-2-yl)quinazoline;2-chloro-3-(4-phenylphenyl)quinoxaline is sourced from PubChem (CID 163855938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).