6-(2-chlorophenyl)-8-methoxy-2-phenylquinazoline;6-(2-chlorophenyl)-2-phenylquinazolin-8-ol

C41H28Cl2N4O2 — CID 158022040

IUPAC6-(2-chlorophenyl)-8-methoxy-2-phenylquinazoline;6-(2-chlorophenyl)-2-phenylquinazolin-8-ol
SMILESCOc1cc(-c2ccccc2Cl)cc2cnc(-c3ccccc3)nc12.Oc1cc(-c2ccccc2Cl)cc2cnc(-c3ccccc3)nc12
InChIInChI=1S/C21H15ClN2O.C20H13ClN2O/c1-25-19-12-15(17-9-5-6-10-18(17)22)11-16-13-23-21(24-20(16)19)14-7-3-2-4-8-14;21-17-9-5-4-8-16(17)14-10-15-12-22-20(13-6-2-1-3-7-13)23-19(15)18(24)11-14/h2-13H,1H3;1-12,24H
InChIKeyFGECYQINYOVTMI-UHFFFAOYSA-N
MW679.61 g/mol
LogP10.95
Rot. Bonds5

About 6-(2-chlorophenyl)-8-methoxy-2-phenylquinazoline;6-(2-chlorophenyl)-2-phenylquinazolin-8-ol

6-(2-chlorophenyl)-8-methoxy-2-phenylquinazoline;6-(2-chlorophenyl)-2-phenylquinazolin-8-ol (PubChem CID 158022040) has the molecular formula C41H28Cl2N4O2 and a molecular weight of 679.61 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-8-methoxy-2-phenylquinazoline;6-(2-chlorophenyl)-2-phenylquinazolin-8-ol.

Molecular Properties

Compound Name6-(2-chlorophenyl)-8-methoxy-2-phenylquinazoline;6-(2-chlorophenyl)-2-phenylquinazolin-8-ol
PubChem CID158022040
Molecular FormulaC41H28Cl2N4O2
Molecular Weight679.61 g/mol
Exact Mass678.16
IUPAC Name6-(2-chlorophenyl)-8-methoxy-2-phenylquinazoline;6-(2-chlorophenyl)-2-phenylquinazolin-8-ol
SMILESCOc1cc(-c2ccccc2Cl)cc2cnc(-c3ccccc3)nc12.Oc1cc(-c2ccccc2Cl)cc2cnc(-c3ccccc3)nc12
InChIInChI=1S/C21H15ClN2O.C20H13ClN2O/c1-25-19-12-15(17-9-5-6-10-18(17)22)11-16-13-23-21(24-20(16)19)14-7-3-2-4-8-14;21-17-9-5-4-8-16(17)14-10-15-12-22-20(13-6-2-1-3-7-13)23-19(15)18(24)11-14/h2-13H,1H3;1-12,24H
InChIKeyFGECYQINYOVTMI-UHFFFAOYSA-N
XLogP10.95
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.61
LogP ≤ 510.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-Azanyl-8-methoxy-quinazolin-6-yl)phenol
CID 162423120
6-(4-fluorophenyl)-8-methoxy-N-methyl-2-pyrimidin-5-ylquinazolin-4-amine
CID 71179936
N-[(2-chloro-4-fluorophenyl)methyl]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180781
N-(3-chloro-4-fluorophenyl)-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274225
4-[2-(6-Amino-5-chloro-3-pyridinyl)-6-[2-fluoro-3-[3-(sulfinatoamino)propyl]phenyl]-8-methoxyquinazolin-4-yl]morpholine
CID 117645506
4-[2-(6-Amino-3-pyridinyl)-6-[6-chloro-2-fluoro-3-[1-fluoro-3-(sulfinatoamino)propyl]phenyl]-8-methoxyquinazolin-4-yl]morpholine
CID 117645646
4-(5-Chloro-2,3-dihydroindol-1-yl)-6-(2-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazoline
CID 117658220
4-(5-Chloro-2,3-dihydroindol-1-yl)-6-(3-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazoline
CID 117658221
4-(5-Chloro-2,3-dihydroindol-1-yl)-6-(4-fluorophenyl)-8-methoxy-2-pyridin-3-ylquinazoline
CID 117658222
4-(5-Chloro-2,3-dihydroindol-1-yl)-6-(2,3-difluorophenyl)-8-methoxy-2-pyridin-3-ylquinazoline
CID 117658223
6-(3-chloro-2-fluorophenyl)-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 117658231
6-(4-chloro-2-fluorophenyl)-8-methoxy-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 117658232

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-8-methoxy-2-phenylquinazoline;6-(2-chlorophenyl)-2-phenylquinazolin-8-ol?
The IUPAC name of 6-(2-chlorophenyl)-8-methoxy-2-phenylquinazoline;6-(2-chlorophenyl)-2-phenylquinazolin-8-ol (CID 158022040) is 6-(2-chlorophenyl)-8-methoxy-2-phenylquinazoline;6-(2-chlorophenyl)-2-phenylquinazolin-8-ol.
What is the SMILES notation for 6-(2-chlorophenyl)-8-methoxy-2-phenylquinazoline;6-(2-chlorophenyl)-2-phenylquinazolin-8-ol?
The canonical SMILES for 6-(2-chlorophenyl)-8-methoxy-2-phenylquinazoline;6-(2-chlorophenyl)-2-phenylquinazolin-8-ol is COc1cc(-c2ccccc2Cl)cc2cnc(-c3ccccc3)nc12.Oc1cc(-c2ccccc2Cl)cc2cnc(-c3ccccc3)nc12.
What is the InChIKey of 6-(2-chlorophenyl)-8-methoxy-2-phenylquinazoline;6-(2-chlorophenyl)-2-phenylquinazolin-8-ol?
The InChIKey is FGECYQINYOVTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O.C20H13ClN2O/c1-25-19-12-15(17-9-5-6-10-18(17)22)11-16-13-23-21(24-20(16)19)14-7-3-2-4-8-14;21-17-9-5-4-8-16(17)14-10-15-12-22-20(13-6-2-1-3-7-13)23-19(15)18(24)11-14/h2-13H,1H3;1-12,24H.
What are the key properties of 6-(2-chlorophenyl)-8-methoxy-2-phenylquinazoline;6-(2-chlorophenyl)-2-phenylquinazolin-8-ol?
6-(2-chlorophenyl)-8-methoxy-2-phenylquinazoline;6-(2-chlorophenyl)-2-phenylquinazolin-8-ol has a molecular weight of 679.61 g/mol, XLogP of 10.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-8-methoxy-2-phenylquinazoline;6-(2-chlorophenyl)-2-phenylquinazolin-8-ol is sourced from PubChem (CID 158022040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).